REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1mje_1_A DATA FIRST_RESID 2399 DATA SEQUENCE KDLMSSLQSA RDLQDMRIKN KERRHLRLQP GSLYLTKSST LPRISLQAAV DATA SEQUENCE GDRAPSACSP KQLYIYGVSK ECINVNSKNA EYFQFDIQDH FGKEDLCAGK DATA SEQUENCE GFQLADGGWL IPSNDGKAGK EEFYRALCDT PGVDPKLISS IWVANHYRWI DATA SEQUENCE VWKLAAMEFA FPKEFANRCL NPERVLLQLK YRYDVEIDNS RRSALKKILE DATA SEQUENCE RDDTAAKTLV LCISDIXXXX XXXXXXXXXX XXXXXXXXVD TIELTDGWYA DATA SEQUENCE VRAQLDPPLM ALVKSGKLTV GQKIITQGAE LVGSPDACAP LEAPDSLRLK DATA SEQUENCE ISANSTRPAR WHSRLGFFRD PRPFPLPLSS LFSDGGNVGC VDIIVQRVYP DATA SEQUENCE LQWVEKTVSG LYIFRSEREE EKEALRFAEA QQKKLEALFT KVHTXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXLSRDVTT VWKLRVTSYK DATA SEQUENCE KKEKSALLSI WRPSSDLSSL LTEGKRYRIY HLAVSKSKSK FERPSIQLTA DATA SEQUENCE TKRTQYQQLP VSSETLLQVY QPRESLHFSR LSDPAFQPPC SEVDVVGVVV DATA SEQUENCE SVVKPIGLAP LVYLSDECLN LLVVKFGIDL NEDIKPRVLI AASNLQCQPE DATA SEQUENCE STSGVPTLFA CHFSIFSASP KEAYFQEKVN NLKHAIENIX DTFYKEAEKK DATA SEQUENCE LIHVLEGDSP KW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2399 K HA 0.000 nan 4.320 nan 0.000 0.191 2399 K C 0.000 176.596 176.600 -0.007 0.000 0.988 2399 K CA 0.000 56.303 56.287 0.027 0.000 0.838 2399 K CB 0.000 32.514 32.500 0.024 0.000 1.064 2400 D N -1.538 118.852 120.400 -0.018 0.000 4.065 2400 D HA -0.116 4.524 4.640 0.000 0.000 0.269 2400 D C -1.729 174.551 176.300 -0.033 0.000 1.946 2400 D CA 0.840 54.816 54.000 -0.041 0.000 1.198 2400 D CB -0.885 39.870 40.800 -0.076 0.000 0.879 2400 D HN 0.226 nan 8.370 nan 0.000 1.080 2401 L N 1.071 122.268 121.223 -0.043 0.000 2.408 2401 L HA 0.460 4.800 4.340 0.000 0.000 0.268 2401 L C 1.295 178.140 176.870 -0.041 0.000 0.986 2401 L CA -0.704 54.115 54.840 -0.035 0.000 0.820 2401 L CB 1.435 43.474 42.059 -0.033 0.000 1.303 2401 L HN 0.489 nan 8.230 nan 0.000 0.411 2402 M N 0.834 120.415 119.600 -0.032 0.000 2.521 2402 M HA -0.108 4.372 4.480 0.000 0.000 0.260 2402 M C 1.595 177.872 176.300 -0.039 0.000 1.068 2402 M CA 0.874 56.155 55.300 -0.032 0.000 1.060 2402 M CB -1.632 30.954 32.600 -0.022 0.000 1.398 2402 M HN 0.710 nan 8.290 nan 0.000 0.473 2403 S N 1.791 117.467 115.700 -0.041 0.000 2.404 2403 S HA -0.096 4.374 4.470 0.000 0.000 0.216 2403 S C 1.478 176.043 174.600 -0.058 0.000 1.039 2403 S CA 1.749 59.923 58.200 -0.044 0.000 1.062 2403 S CB -0.573 62.601 63.200 -0.042 0.000 1.046 2403 S HN 0.674 nan 8.310 nan 0.000 0.415 2404 S N 1.374 117.033 115.700 -0.068 0.000 3.120 2404 S HA 0.283 4.753 4.470 0.000 0.000 0.259 2404 S C 0.777 175.315 174.600 -0.103 0.000 1.191 2404 S CA -0.035 58.112 58.200 -0.089 0.000 1.257 2404 S CB -0.518 62.624 63.200 -0.098 0.000 0.964 2404 S HN 0.283 nan 8.310 nan 0.000 0.473 2405 L N -0.068 121.104 121.223 -0.085 0.000 2.541 2405 L HA 0.227 4.567 4.340 0.000 0.000 0.187 2405 L C 2.534 179.355 176.870 -0.081 0.000 1.098 2405 L CA 0.360 55.149 54.840 -0.085 0.000 0.846 2405 L CB -0.337 41.685 42.059 -0.062 0.000 1.151 2405 L HN 0.372 nan 8.230 nan 0.000 0.492 2406 Q N 0.605 120.366 119.800 -0.065 0.000 2.541 2406 Q HA -0.095 4.245 4.340 0.000 0.000 0.215 2406 Q C 0.881 176.836 176.000 -0.075 0.000 0.977 2406 Q CA 0.617 56.385 55.803 -0.060 0.000 0.934 2406 Q CB 0.142 28.853 28.738 -0.045 0.000 0.988 2406 Q HN 0.404 nan 8.270 nan 0.000 0.521 2407 S N -1.616 114.028 115.700 -0.092 0.000 2.849 2407 S HA 0.532 5.002 4.470 0.000 0.000 0.244 2407 S C 0.439 174.949 174.600 -0.150 0.000 1.297 2407 S CA 0.050 58.184 58.200 -0.110 0.000 1.241 2407 S CB 0.899 64.033 63.200 -0.109 0.000 0.958 2407 S HN 0.375 nan 8.310 nan 0.000 0.489 2408 A N 1.011 123.745 122.820 -0.143 0.000 2.399 2408 A HA 0.145 4.465 4.320 0.000 0.000 0.213 2408 A C 1.447 178.954 177.584 -0.128 0.000 2.833 2408 A CA 0.219 52.147 52.037 -0.182 0.000 1.515 2408 A CB -0.710 18.133 19.000 -0.263 0.000 0.489 2408 A HN 0.451 nan 8.150 nan 0.000 0.514 2409 R N 0.409 120.851 120.500 -0.096 0.000 2.066 2409 R HA -0.002 4.338 4.340 0.000 0.000 0.224 2409 R C 1.027 177.292 176.300 -0.057 0.000 1.122 2409 R CA 1.498 57.558 56.100 -0.065 0.000 0.974 2409 R CB -0.083 30.186 30.300 -0.051 0.000 0.871 2409 R HN 0.334 nan 8.270 nan 0.000 0.435 2410 D N 0.200 120.565 120.400 -0.059 0.000 2.340 2410 D HA -0.044 4.596 4.640 0.000 0.000 0.220 2410 D C 1.313 177.578 176.300 -0.057 0.000 1.039 2410 D CA 0.171 54.141 54.000 -0.050 0.000 0.866 2410 D CB 0.604 41.378 40.800 -0.044 0.000 0.913 2410 D HN 0.205 nan 8.370 nan 0.000 0.523 2411 L N 0.187 121.365 121.223 -0.075 0.000 2.470 2411 L HA 0.148 4.488 4.340 0.000 0.000 0.219 2411 L C 2.048 178.870 176.870 -0.078 0.000 1.071 2411 L CA 0.978 55.768 54.840 -0.083 0.000 0.850 2411 L CB -0.160 41.830 42.059 -0.115 0.000 1.040 2411 L HN -0.166 nan 8.230 nan 0.000 0.475 2412 Q N -0.225 119.528 119.800 -0.077 0.000 2.016 2412 Q HA -0.204 4.136 4.340 0.000 0.000 0.200 2412 Q C 1.491 177.459 176.000 -0.053 0.000 0.978 2412 Q CA 2.056 57.821 55.803 -0.062 0.000 0.833 2412 Q CB -0.037 28.667 28.738 -0.056 0.000 0.895 2412 Q HN 0.524 nan 8.270 nan 0.000 0.427 2413 D N 0.464 120.834 120.400 -0.051 0.000 2.239 2413 D HA -0.232 4.408 4.640 0.000 0.000 0.202 2413 D C 1.820 178.096 176.300 -0.039 0.000 0.993 2413 D CA 1.003 54.976 54.000 -0.045 0.000 0.874 2413 D CB -0.242 40.536 40.800 -0.035 0.000 0.922 2413 D HN 0.378 nan 8.370 nan 0.000 0.464 2414 M N 1.337 120.912 119.600 -0.040 0.000 2.084 2414 M HA -0.211 4.269 4.480 0.000 0.000 0.259 2414 M C 2.059 178.339 176.300 -0.032 0.000 1.072 2414 M CA 1.656 56.935 55.300 -0.035 0.000 1.107 2414 M CB -0.452 32.125 32.600 -0.039 0.000 1.299 2414 M HN -0.143 nan 8.290 nan 0.000 0.413 2415 R N -0.010 120.469 120.500 -0.034 0.000 2.105 2415 R HA -0.115 4.225 4.340 0.000 0.000 0.239 2415 R C 2.217 178.496 176.300 -0.035 0.000 1.135 2415 R CA 1.804 57.886 56.100 -0.030 0.000 0.967 2415 R CB -0.564 29.721 30.300 -0.025 0.000 0.861 2415 R HN 0.503 nan 8.270 nan 0.000 0.442 2416 I N 0.875 121.419 120.570 -0.044 0.000 2.052 2416 I HA -0.365 3.805 4.170 0.000 0.000 0.235 2416 I C 2.274 178.371 176.117 -0.033 0.000 1.046 2416 I CA 1.457 62.727 61.300 -0.050 0.000 1.308 2416 I CB -0.410 37.556 38.000 -0.058 0.000 1.031 2416 I HN 0.124 nan 8.210 nan 0.000 0.395 2417 K N 0.989 121.374 120.400 -0.026 0.000 1.970 2417 K HA -0.212 4.108 4.320 0.000 0.000 0.225 2417 K C 1.771 178.363 176.600 -0.013 0.000 1.045 2417 K CA 2.067 58.345 56.287 -0.015 0.000 1.002 2417 K CB -1.172 31.319 32.500 -0.014 0.000 0.743 2417 K HN 0.215 nan 8.250 nan 0.000 0.445 2418 N N 0.956 119.648 118.700 -0.014 0.000 2.202 2418 N HA -0.209 4.531 4.740 0.000 0.000 0.197 2418 N C 1.533 177.037 175.510 -0.010 0.000 0.995 2418 N CA 1.704 54.748 53.050 -0.010 0.000 0.894 2418 N CB -0.116 38.363 38.487 -0.014 0.000 1.010 2418 N HN 0.288 nan 8.380 nan 0.000 0.453 2419 K N -0.052 120.337 120.400 -0.017 0.000 2.323 2419 K HA -0.001 4.319 4.320 0.000 0.000 0.197 2419 K C 1.246 177.837 176.600 -0.014 0.000 1.043 2419 K CA 0.622 56.897 56.287 -0.021 0.000 0.997 2419 K CB 0.220 32.700 32.500 -0.032 0.000 0.807 2419 K HN 0.528 nan 8.250 nan 0.000 0.497 2420 E N 0.563 120.757 120.200 -0.010 0.000 2.502 2420 E HA -0.052 4.298 4.350 0.000 0.000 0.194 2420 E C 1.019 177.627 176.600 0.014 0.000 1.062 2420 E CA 0.179 56.579 56.400 0.001 0.000 0.867 2420 E CB 0.111 29.809 29.700 -0.003 0.000 0.888 2420 E HN 0.073 nan 8.360 nan 0.000 0.510 2421 R N 0.978 121.486 120.500 0.013 0.000 2.363 2421 R HA 0.233 4.573 4.340 0.000 0.000 0.236 2421 R C 0.086 176.410 176.300 0.040 0.000 0.966 2421 R CA 0.129 56.242 56.100 0.022 0.000 1.100 2421 R CB 0.112 30.421 30.300 0.014 0.000 1.125 2421 R HN 0.143 nan 8.270 nan 0.000 0.514 2422 R N -0.678 119.854 120.500 0.052 0.000 3.006 2422 R HA 0.239 4.580 4.340 0.000 0.000 0.261 2422 R C -1.044 175.337 176.300 0.134 0.000 1.113 2422 R CA -1.002 55.164 56.100 0.109 0.000 0.973 2422 R CB 0.388 30.743 30.300 0.093 0.000 1.341 2422 R HN 0.109 nan 8.270 nan 0.000 0.437 2423 H N 1.071 120.147 119.070 0.010 0.000 2.476 2423 H HA 0.444 5.000 4.556 0.000 0.000 0.328 2423 H C -0.527 174.810 175.328 0.016 0.000 1.073 2423 H CA -0.597 55.460 56.048 0.015 0.000 1.229 2423 H CB 0.795 30.565 29.762 0.014 0.000 1.432 2423 H HN 0.319 nan 8.280 nan 0.000 0.477 2424 L N 1.970 123.107 121.223 -0.144 0.000 2.490 2424 L HA 0.313 4.653 4.340 0.000 0.000 0.245 2424 L C 0.704 177.465 176.870 -0.181 0.000 1.185 2424 L CA -0.905 53.830 54.840 -0.176 0.000 0.813 2424 L CB 0.369 42.393 42.059 -0.058 0.000 1.233 2424 L HN 0.451 nan 8.230 nan 0.000 0.489 2425 R N 1.182 121.612 120.500 -0.117 0.000 2.332 2425 R HA 0.347 4.687 4.340 0.000 0.000 0.306 2425 R C -1.354 174.941 176.300 -0.007 0.000 1.117 2425 R CA -0.586 55.474 56.100 -0.066 0.000 1.108 2425 R CB -0.234 30.024 30.300 -0.069 0.000 1.126 2425 R HN 0.304 nan 8.270 nan 0.000 0.548 2426 L N 3.820 125.060 121.223 0.028 0.000 2.678 2426 L HA 0.107 4.448 4.340 0.000 0.000 0.276 2426 L C 0.431 177.328 176.870 0.046 0.000 1.142 2426 L CA 1.059 55.947 54.840 0.079 0.000 0.961 2426 L CB 0.038 42.145 42.059 0.080 0.000 1.291 2426 L HN 0.434 nan 8.230 nan 0.000 0.476 2427 Q N 5.286 125.117 119.800 0.052 0.000 2.340 2427 Q HA 0.359 4.699 4.340 0.000 0.000 0.259 2427 Q C -2.138 173.884 176.000 0.035 0.000 0.964 2427 Q CA -2.047 53.772 55.803 0.026 0.000 0.900 2427 Q CB 1.340 30.087 28.738 0.015 0.000 1.228 2427 Q HN 0.325 nan 8.270 nan 0.000 0.449 2428 P HA -0.099 nan 4.420 nan 0.000 0.262 2428 P C 0.100 177.431 177.300 0.051 0.000 1.182 2428 P CA 0.327 63.401 63.100 -0.043 0.000 0.761 2428 P CB 0.578 32.213 31.700 -0.109 0.000 0.795 2429 G N 1.431 110.300 108.800 0.115 0.000 2.525 2429 G HA2 0.099 4.059 3.960 0.000 0.000 0.276 2429 G HA3 0.099 4.059 3.960 0.000 0.000 0.276 2429 G C 1.309 176.267 174.900 0.097 0.000 1.388 2429 G CA 0.141 45.311 45.100 0.117 0.000 1.050 2429 G HN 0.459 nan 8.290 nan 0.000 0.520 2430 S N -1.242 114.497 115.700 0.066 0.000 2.380 2430 S HA -0.112 4.358 4.470 0.000 0.000 0.213 2430 S C 2.483 177.089 174.600 0.010 0.000 1.037 2430 S CA 1.420 59.640 58.200 0.033 0.000 1.034 2430 S CB -0.762 62.448 63.200 0.016 0.000 1.022 2430 S HN 0.416 nan 8.310 nan 0.000 0.418 2431 L N 0.060 121.258 121.223 -0.041 0.000 2.013 2431 L HA -0.257 4.083 4.340 0.000 0.000 0.239 2431 L C 2.362 179.088 176.870 -0.240 0.000 1.100 2431 L CA 2.638 57.361 54.840 -0.196 0.000 0.826 2431 L CB -1.206 40.647 42.059 -0.343 0.000 0.921 2431 L HN 0.564 nan 8.230 nan 0.000 0.445 2432 Y N 0.069 120.153 120.300 -0.359 0.000 2.136 2432 Y HA -0.390 4.160 4.550 0.000 0.000 0.271 2432 Y C 2.409 178.257 175.900 -0.086 0.000 1.252 2432 Y CA 2.131 60.116 58.100 -0.193 0.000 1.117 2432 Y CB -0.242 38.255 38.460 0.062 0.000 0.932 2432 Y HN 0.103 nan 8.280 nan 0.000 0.512 2433 L N -1.521 119.845 121.223 0.239 0.000 2.044 2433 L HA -0.223 4.117 4.340 0.000 0.000 0.205 2433 L C 2.461 179.348 176.870 0.028 0.000 1.075 2433 L CA 1.623 56.565 54.840 0.170 0.000 0.747 2433 L CB -1.079 41.054 42.059 0.123 0.000 0.903 2433 L HN 0.182 nan 8.230 nan 0.000 0.435 2434 T N 0.145 114.687 114.554 -0.021 0.000 2.544 2434 T HA -0.231 4.119 4.350 0.000 0.000 0.264 2434 T C 1.893 176.547 174.700 -0.076 0.000 1.096 2434 T CA 1.619 63.690 62.100 -0.048 0.000 1.181 2434 T CB -0.162 68.667 68.868 -0.065 0.000 0.864 2434 T HN 0.241 nan 8.240 nan 0.000 0.415 2435 K N 1.231 121.546 120.400 -0.142 0.000 2.089 2435 K HA -0.100 4.220 4.320 0.000 0.000 0.210 2435 K C 2.565 179.089 176.600 -0.128 0.000 1.048 2435 K CA 1.572 57.767 56.287 -0.153 0.000 0.926 2435 K CB -0.695 31.663 32.500 -0.237 0.000 0.714 2435 K HN 0.268 nan 8.250 nan 0.000 0.448 2436 S N 1.446 117.062 115.700 -0.141 0.000 2.442 2436 S HA -0.082 4.388 4.470 0.000 0.000 0.236 2436 S C 1.292 175.881 174.600 -0.019 0.000 1.007 2436 S CA 0.724 58.880 58.200 -0.072 0.000 0.965 2436 S CB -0.274 62.940 63.200 0.022 0.000 0.773 2436 S HN 0.520 nan 8.310 nan 0.000 0.504 2437 S N 1.236 116.925 115.700 -0.018 0.000 2.611 2437 S HA 0.030 4.500 4.470 0.000 0.000 0.252 2437 S C 0.999 175.591 174.600 -0.013 0.000 1.369 2437 S CA 0.051 58.246 58.200 -0.008 0.000 0.975 2437 S CB -0.031 63.162 63.200 -0.011 0.000 0.937 2437 S HN 0.210 nan 8.310 nan 0.000 0.584 2438 T N 0.734 115.283 114.554 -0.009 0.000 3.129 2438 T HA 0.239 4.589 4.350 0.000 0.000 0.251 2438 T C 0.452 175.143 174.700 -0.015 0.000 1.117 2438 T CA -0.157 61.936 62.100 -0.010 0.000 1.034 2438 T CB -0.478 68.386 68.868 -0.006 0.000 0.968 2438 T HN 0.371 nan 8.240 nan 0.000 0.526 2439 L N 4.231 125.443 121.223 -0.018 0.000 2.513 2439 L HA 0.153 4.493 4.340 0.000 0.000 0.272 2439 L C -1.572 175.284 176.870 -0.023 0.000 1.187 2439 L CA -1.338 53.490 54.840 -0.020 0.000 0.895 2439 L CB -0.313 41.733 42.059 -0.022 0.000 1.147 2439 L HN 0.053 nan 8.230 nan 0.000 0.483 2440 P HA 0.025 nan 4.420 nan 0.000 0.263 2440 P C -0.654 176.631 177.300 -0.025 0.000 1.175 2440 P CA 0.321 63.407 63.100 -0.023 0.000 0.761 2440 P CB 0.595 32.282 31.700 -0.022 0.000 0.794 2441 R N 2.067 122.551 120.500 -0.026 0.000 2.828 2441 R HA 0.689 5.029 4.340 0.000 0.000 0.264 2441 R C -0.201 176.084 176.300 -0.025 0.000 1.022 2441 R CA -1.109 54.975 56.100 -0.025 0.000 1.021 2441 R CB 0.815 31.099 30.300 -0.026 0.000 1.163 2441 R HN 0.334 nan 8.270 nan 0.000 0.494 2442 I N 0.234 120.792 120.570 -0.020 0.000 2.530 2442 I HA 0.195 4.365 4.170 0.000 0.000 0.297 2442 I C 0.113 176.218 176.117 -0.021 0.000 1.011 2442 I CA -0.455 60.833 61.300 -0.020 0.000 1.107 2442 I CB 2.018 40.010 38.000 -0.013 0.000 1.285 2442 I HN 0.594 nan 8.210 nan 0.000 0.436 2443 S N 4.820 120.498 115.700 -0.037 0.000 2.442 2443 S HA 0.472 4.942 4.470 0.000 0.000 0.297 2443 S C 0.950 175.514 174.600 -0.059 0.000 1.131 2443 S CA -0.714 57.451 58.200 -0.057 0.000 1.092 2443 S CB 0.828 63.978 63.200 -0.083 0.000 0.998 2443 S HN 0.481 nan 8.310 nan 0.000 0.478 2444 L N 1.740 122.933 121.223 -0.051 0.000 2.103 2444 L HA -0.202 4.138 4.340 0.000 0.000 0.215 2444 L C 2.894 179.754 176.870 -0.017 0.000 1.080 2444 L CA 1.670 56.510 54.840 -0.001 0.000 0.764 2444 L CB -1.123 40.989 42.059 0.087 0.000 0.890 2444 L HN 0.677 nan 8.230 nan 0.000 0.435 2445 Q N -0.118 119.585 119.800 -0.161 0.000 1.956 2445 Q HA -0.256 4.084 4.340 0.000 0.000 0.208 2445 Q C 2.467 178.422 176.000 -0.076 0.000 0.998 2445 Q CA 2.373 58.060 55.803 -0.193 0.000 0.855 2445 Q CB -0.589 27.947 28.738 -0.336 0.000 0.928 2445 Q HN 0.595 nan 8.270 nan 0.000 0.418 2446 A N 0.710 123.482 122.820 -0.080 0.000 1.873 2446 A HA -0.028 4.292 4.320 0.000 0.000 0.215 2446 A C 2.154 179.708 177.584 -0.051 0.000 1.186 2446 A CA 1.749 53.753 52.037 -0.055 0.000 0.616 2446 A CB -0.756 18.213 19.000 -0.051 0.000 0.823 2446 A HN 0.421 nan 8.150 nan 0.000 0.442 2447 A N -0.973 121.819 122.820 -0.047 0.000 2.272 2447 A HA 0.187 4.508 4.320 0.000 0.000 0.213 2447 A C 1.310 178.850 177.584 -0.074 0.000 1.183 2447 A CA 1.641 53.657 52.037 -0.035 0.000 0.719 2447 A CB -0.408 18.602 19.000 0.016 0.000 0.771 2447 A HN 0.610 nan 8.150 nan 0.000 0.484 2448 V N -2.316 117.527 119.914 -0.118 0.000 3.392 2448 V HA 0.363 4.483 4.120 0.000 0.000 0.294 2448 V C 1.075 177.114 176.094 -0.093 0.000 1.561 2448 V CA 0.289 62.465 62.300 -0.207 0.000 1.056 2448 V CB -0.156 31.342 31.823 -0.542 0.000 0.882 2448 V HN 1.118 nan 8.190 nan 0.000 0.440 2449 G N 2.073 110.842 108.800 -0.051 0.000 2.473 2449 G HA2 -0.229 3.731 3.960 0.000 0.000 0.289 2449 G HA3 -0.229 3.731 3.960 0.000 0.000 0.289 2449 G C 0.145 175.049 174.900 0.006 0.000 1.084 2449 G CA 0.353 45.441 45.100 -0.020 0.000 1.215 2449 G HN 0.503 nan 8.290 nan 0.000 0.527 2450 D N -1.540 118.867 120.400 0.013 0.000 2.733 2450 D HA -0.233 4.407 4.640 0.000 0.000 0.228 2450 D C 0.729 177.087 176.300 0.097 0.000 1.182 2450 D CA 1.864 55.893 54.000 0.049 0.000 0.620 2450 D CB 0.061 40.877 40.800 0.027 0.000 1.027 2450 D HN 0.866 nan 8.370 nan 0.000 0.415 2451 R N -0.161 120.401 120.500 0.103 0.000 2.637 2451 R HA 0.780 5.120 4.340 0.000 0.000 0.291 2451 R C -1.206 175.185 176.300 0.152 0.000 0.963 2451 R CA -0.293 55.870 56.100 0.106 0.000 0.901 2451 R CB 1.767 32.108 30.300 0.068 0.000 1.160 2451 R HN 0.043 nan 8.270 nan 0.000 0.457 2452 A N 4.736 127.579 122.820 0.038 0.000 2.355 2452 A HA 0.672 4.992 4.320 0.000 0.000 0.317 2452 A C -2.466 174.881 177.584 -0.396 0.000 1.094 2452 A CA -1.948 49.894 52.037 -0.325 0.000 0.764 2452 A CB 0.840 19.637 19.000 -0.337 0.000 1.230 2452 A HN 0.698 nan 8.150 nan 0.000 0.448 2453 P HA -0.143 nan 4.420 nan 0.000 0.254 2453 P C 0.271 177.299 177.300 -0.454 0.000 1.094 2453 P CA 1.078 63.660 63.100 -0.862 0.000 0.763 2453 P CB 0.203 31.380 31.700 -0.871 0.000 0.670 2454 S N 1.531 117.015 115.700 -0.359 0.000 2.741 2454 S HA 0.392 4.863 4.470 0.000 0.000 0.247 2454 S C 0.454 174.948 174.600 -0.177 0.000 1.050 2454 S CA 0.060 58.133 58.200 -0.212 0.000 1.025 2454 S CB 0.524 63.646 63.200 -0.130 0.000 0.897 2454 S HN 0.554 nan 8.310 nan 0.000 0.508 2455 A N 0.868 123.553 122.820 -0.225 0.000 3.158 2455 A HA 0.378 4.698 4.320 0.000 0.000 0.319 2455 A C 0.206 177.680 177.584 -0.184 0.000 1.204 2455 A CA -0.367 51.592 52.037 -0.130 0.000 0.992 2455 A CB -0.783 18.229 19.000 0.020 0.000 1.110 2455 A HN 0.475 nan 8.150 nan 0.000 0.519 2456 C N 1.898 121.117 119.300 -0.136 0.000 2.669 2456 C HA 0.439 4.899 4.460 0.000 0.000 0.380 2456 C C 1.710 176.660 174.990 -0.067 0.000 1.145 2456 C CA 1.160 60.107 59.018 -0.118 0.000 1.349 2456 C CB -2.307 25.382 27.740 -0.086 0.000 1.941 2456 C HN 1.449 nan 8.230 nan 0.000 0.559 2457 S N 1.706 117.357 115.700 -0.081 0.000 3.812 2457 S HA 0.175 4.645 4.470 0.000 0.000 0.341 2457 S C -0.415 174.226 174.600 0.068 0.000 1.057 2457 S CA 1.131 59.325 58.200 -0.012 0.000 1.015 2457 S CB -2.450 60.746 63.200 -0.007 0.000 0.893 2457 S HN 2.151 nan 8.310 nan 0.000 0.476 2458 P HA 0.648 nan 4.420 nan 0.000 0.020 2458 P C -0.426 176.918 177.300 0.075 0.000 0.985 2458 P CA 1.399 64.607 63.100 0.180 0.000 1.034 2458 P CB -2.023 29.798 31.700 0.201 0.000 1.901 2459 K N 1.094 121.491 120.400 -0.006 0.000 2.258 2459 K HA 0.792 5.112 4.320 0.000 0.000 0.284 2459 K C 0.782 177.270 176.600 -0.186 0.000 1.051 2459 K CA 0.988 57.233 56.287 -0.069 0.000 0.923 2459 K CB 0.753 33.207 32.500 -0.076 0.000 1.046 2459 K HN 1.770 nan 8.250 nan 0.000 0.474 2460 Q N 0.463 120.274 119.800 0.019 0.000 2.489 2460 Q HA 0.553 4.893 4.340 0.000 0.000 0.231 2460 Q C 0.262 176.362 176.000 0.166 0.000 1.273 2460 Q CA 0.349 56.274 55.803 0.203 0.000 0.898 2460 Q CB -1.034 27.831 28.738 0.212 0.000 1.545 2460 Q HN 2.232 nan 8.270 nan 0.000 0.538 2461 L N 0.312 121.586 121.223 0.086 0.000 2.664 2461 L HA 0.365 4.705 4.340 0.000 0.000 0.239 2461 L C 0.153 177.136 176.870 0.189 0.000 1.198 2461 L CA -0.575 54.406 54.840 0.235 0.000 0.976 2461 L CB -1.554 40.728 42.059 0.373 0.000 1.149 2461 L HN 0.700 nan 8.230 nan 0.000 0.614 2462 Y N -0.165 120.210 120.300 0.125 0.000 2.571 2462 Y HA 0.078 4.628 4.550 0.000 0.000 0.294 2462 Y C 2.210 178.182 175.900 0.121 0.000 1.141 2462 Y CA 1.232 59.382 58.100 0.083 0.000 1.308 2462 Y CB -0.629 37.839 38.460 0.014 0.000 1.002 2462 Y HN 0.682 nan 8.280 nan 0.000 0.551 2463 I N -0.478 120.240 120.570 0.246 0.000 2.720 2463 I HA -0.528 3.642 4.170 0.000 0.000 0.208 2463 I C 1.930 178.101 176.117 0.089 0.000 0.908 2463 I CA 2.287 63.629 61.300 0.069 0.000 1.222 2463 I CB -1.293 36.612 38.000 -0.158 0.000 0.933 2463 I HN 0.145 nan 8.210 nan 0.000 0.360 2464 Y N 0.843 121.155 120.300 0.021 0.000 2.418 2464 Y HA -0.337 4.213 4.550 0.000 0.000 0.268 2464 Y C 1.843 177.755 175.900 0.020 0.000 1.342 2464 Y CA 1.258 59.367 58.100 0.015 0.000 1.094 2464 Y CB -1.020 37.444 38.460 0.006 0.000 0.883 2464 Y HN 0.569 nan 8.280 nan 0.000 0.542 2465 G N -2.878 106.034 108.800 0.187 0.000 4.112 2465 G HA2 0.136 4.097 3.960 0.000 0.000 0.223 2465 G HA3 0.136 4.097 3.960 0.000 0.000 0.223 2465 G C 0.374 175.330 174.900 0.093 0.000 0.883 2465 G CA -0.261 44.911 45.100 0.120 0.000 1.195 2465 G HN 0.188 nan 8.290 nan 0.000 0.730 2466 V N 0.995 120.964 119.914 0.091 0.000 2.409 2466 V HA -0.287 3.833 4.120 0.000 0.000 0.212 2466 V C 1.841 177.958 176.094 0.038 0.000 0.908 2466 V CA 2.578 64.915 62.300 0.061 0.000 1.074 2466 V CB -1.347 30.540 31.823 0.106 0.000 0.817 2466 V HN 1.813 nan 8.190 nan 0.000 0.537 2467 S N -2.174 113.559 115.700 0.056 0.000 4.159 2467 S HA -0.043 4.427 4.470 0.000 0.000 0.532 2467 S C 0.564 175.200 174.600 0.061 0.000 0.750 2467 S CA 1.153 59.396 58.200 0.072 0.000 1.254 2467 S CB -1.524 61.748 63.200 0.120 0.000 0.732 2467 S HN 1.373 nan 8.310 nan 0.000 0.689 2468 K N -0.312 120.116 120.400 0.047 0.000 2.589 2468 K HA 0.275 4.595 4.320 0.000 0.000 0.195 2468 K C 1.519 178.160 176.600 0.069 0.000 1.040 2468 K CA 1.824 58.139 56.287 0.047 0.000 0.950 2468 K CB -1.246 31.275 32.500 0.035 0.000 0.781 2468 K HN 1.087 nan 8.250 nan 0.000 0.486 2469 E N -0.630 119.625 120.200 0.093 0.000 2.479 2469 E HA 0.189 4.539 4.350 0.000 0.000 0.193 2469 E C 1.848 178.604 176.600 0.259 0.000 1.049 2469 E CA 0.927 57.411 56.400 0.139 0.000 0.870 2469 E CB -1.174 28.590 29.700 0.107 0.000 0.944 2469 E HN 0.976 nan 8.360 nan 0.000 0.492 2470 C N -2.531 116.878 119.300 0.182 0.000 2.756 2470 C HA 0.424 4.884 4.460 0.000 0.000 0.318 2470 C C 2.228 177.265 174.990 0.079 0.000 1.888 2470 C CA 0.702 59.798 59.018 0.131 0.000 2.168 2470 C CB -0.668 27.121 27.740 0.082 0.000 1.758 2470 C HN 0.453 nan 8.230 nan 0.000 0.722 2471 I N 2.818 123.420 120.570 0.054 0.000 2.237 2471 I HA -0.328 3.842 4.170 0.000 0.000 0.245 2471 I C 1.259 177.439 176.117 0.105 0.000 1.013 2471 I CA 2.230 63.563 61.300 0.055 0.000 1.298 2471 I CB -0.756 37.236 38.000 -0.014 0.000 0.995 2471 I HN 0.582 nan 8.210 nan 0.000 0.422 2472 N N 1.237 119.992 118.700 0.092 0.000 2.683 2472 N HA 0.081 4.821 4.740 0.000 0.000 0.256 2472 N C -0.430 175.135 175.510 0.090 0.000 1.270 2472 N CA 0.103 53.207 53.050 0.091 0.000 0.954 2472 N CB 0.363 38.898 38.487 0.080 0.000 1.289 2472 N HN 0.082 nan 8.380 nan 0.000 0.508 2473 V N 0.927 120.890 119.914 0.082 0.000 2.628 2473 V HA 0.496 4.616 4.120 0.000 0.000 0.306 2473 V C -1.143 174.992 176.094 0.068 0.000 1.045 2473 V CA -0.680 61.645 62.300 0.042 0.000 0.905 2473 V CB 2.102 33.895 31.823 -0.051 0.000 0.997 2473 V HN 0.199 nan 8.190 nan 0.000 0.436 2474 N N 2.888 121.593 118.700 0.009 0.000 2.367 2474 N HA 0.214 4.954 4.740 0.000 0.000 0.278 2474 N C 0.718 176.067 175.510 -0.267 0.000 1.117 2474 N CA 0.125 53.165 53.050 -0.017 0.000 0.867 2474 N CB 2.065 40.553 38.487 0.001 0.000 1.649 2474 N HN 0.760 nan 8.380 nan 0.000 0.479 2475 S N 1.445 116.778 115.700 -0.611 0.000 2.468 2475 S HA -0.364 4.106 4.470 0.000 0.000 0.261 2475 S C 1.298 175.500 174.600 -0.663 0.000 1.127 2475 S CA 1.640 59.093 58.200 -1.246 0.000 1.092 2475 S CB -0.358 62.175 63.200 -1.112 0.000 0.945 2475 S HN 0.640 nan 8.310 nan 0.000 0.463 2476 K N 2.208 122.390 120.400 -0.364 0.000 2.007 2476 K HA 0.008 4.328 4.320 0.000 0.000 0.206 2476 K C 0.937 177.423 176.600 -0.191 0.000 1.047 2476 K CA 1.165 57.309 56.287 -0.238 0.000 0.937 2476 K CB -0.346 32.082 32.500 -0.120 0.000 0.718 2476 K HN 0.712 nan 8.250 nan 0.000 0.438 2477 N N 0.576 119.222 118.700 -0.089 0.000 3.250 2477 N HA 0.129 4.869 4.740 0.000 0.000 0.307 2477 N C -0.055 175.438 175.510 -0.028 0.000 1.355 2477 N CA 0.055 53.144 53.050 0.064 0.000 1.192 2477 N CB 1.257 39.847 38.487 0.171 0.000 1.478 2477 N HN 0.070 nan 8.380 nan 0.000 0.543 2478 A N 0.038 122.750 122.820 -0.180 0.000 2.211 2478 A HA 0.049 4.369 4.320 0.000 0.000 0.208 2478 A C 1.771 179.222 177.584 -0.222 0.000 1.250 2478 A CA -0.071 51.808 52.037 -0.264 0.000 0.935 2478 A CB 0.043 18.842 19.000 -0.335 0.000 0.982 2478 A HN 0.453 nan 8.150 nan 0.000 0.490 2479 E N -1.222 118.851 120.200 -0.212 0.000 2.216 2479 E HA -0.096 4.254 4.350 0.000 0.000 0.192 2479 E C 0.937 177.608 176.600 0.118 0.000 0.988 2479 E CA 0.638 56.973 56.400 -0.109 0.000 0.834 2479 E CB -0.080 29.414 29.700 -0.344 0.000 0.772 2479 E HN 0.605 nan 8.360 nan 0.000 0.479 2480 Y N -0.388 119.997 120.300 0.142 0.000 2.973 2480 Y HA 0.037 4.587 4.550 0.000 0.000 0.220 2480 Y C 1.572 177.689 175.900 0.362 0.000 0.930 2480 Y CA 1.024 59.232 58.100 0.181 0.000 0.961 2480 Y CB -0.881 37.641 38.460 0.103 0.000 1.083 2480 Y HN 0.113 nan 8.280 nan 0.000 0.470 2481 F N -1.065 119.046 119.950 0.267 0.000 2.530 2481 F HA -0.456 4.071 4.527 0.000 0.000 0.750 2481 F C -0.289 175.583 175.800 0.120 0.000 0.485 2481 F CA 1.508 59.578 58.000 0.116 0.000 0.747 2481 F CB -1.320 37.684 39.000 0.008 0.000 1.601 2481 F HN 0.506 nan 8.300 nan 0.000 0.278 2482 Q N 0.175 119.868 119.800 -0.179 0.000 3.050 2482 Q HA -0.181 4.160 4.340 0.000 0.000 0.074 2482 Q C -0.814 174.886 176.000 -0.500 0.000 1.613 2482 Q CA 0.846 56.561 55.803 -0.147 0.000 0.348 2482 Q CB -1.337 27.433 28.738 0.053 0.000 0.599 2482 Q HN 0.388 nan 8.270 nan 0.000 0.321 2483 F N 2.542 122.329 119.950 -0.271 0.000 2.444 2483 F HA 0.110 4.637 4.527 0.000 0.000 0.331 2483 F C 1.351 177.175 175.800 0.041 0.000 1.167 2483 F CA -0.231 57.700 58.000 -0.115 0.000 1.262 2483 F CB 0.393 39.546 39.000 0.255 0.000 1.196 2483 F HN 0.315 nan 8.300 nan 0.000 0.583 2484 D N 2.798 123.374 120.400 0.292 0.000 2.485 2484 D HA 0.183 4.824 4.640 0.000 0.000 0.221 2484 D C 1.198 177.694 176.300 0.327 0.000 1.112 2484 D CA -0.038 54.089 54.000 0.210 0.000 0.911 2484 D CB 0.544 41.398 40.800 0.090 0.000 1.019 2484 D HN 0.572 nan 8.370 nan 0.000 0.516 2485 I N -1.420 119.343 120.570 0.323 0.000 3.018 2485 I HA -0.321 3.849 4.170 0.000 0.000 0.277 2485 I C 1.906 178.272 176.117 0.415 0.000 1.293 2485 I CA 1.124 62.598 61.300 0.289 0.000 1.427 2485 I CB -0.533 37.525 38.000 0.096 0.000 1.091 2485 I HN 0.260 nan 8.210 nan 0.000 0.500 2486 Q N 0.866 120.863 119.800 0.328 0.000 2.394 2486 Q HA -0.069 4.271 4.340 0.000 0.000 0.218 2486 Q C 1.570 177.687 176.000 0.195 0.000 0.907 2486 Q CA 0.292 56.248 55.803 0.256 0.000 0.919 2486 Q CB 0.338 29.164 28.738 0.146 0.000 1.051 2486 Q HN 0.505 nan 8.270 nan 0.000 0.538 2487 D N -0.108 120.352 120.400 0.101 0.000 2.162 2487 D HA -0.091 4.549 4.640 0.000 0.000 0.203 2487 D C 0.615 176.811 176.300 -0.174 0.000 0.967 2487 D CA 0.875 54.828 54.000 -0.077 0.000 0.840 2487 D CB 0.213 40.886 40.800 -0.212 0.000 0.972 2487 D HN 0.342 nan 8.370 nan 0.000 0.482 2488 H N -1.048 117.988 119.070 -0.057 0.000 2.550 2488 H HA 0.190 4.746 4.556 0.000 0.000 0.304 2488 H C 0.203 174.830 175.328 -1.168 0.000 1.086 2488 H CA 0.022 55.766 56.048 -0.507 0.000 1.089 2488 H CB -0.080 29.318 29.762 -0.607 0.000 1.528 2488 H HN 0.192 nan 8.280 nan 0.000 0.539 2489 F N -1.774 118.193 119.950 0.029 0.000 1.806 2489 F HA 0.329 4.856 4.527 0.000 0.000 0.245 2489 F C 1.884 177.727 175.800 0.071 0.000 1.158 2489 F CA 0.391 58.389 58.000 -0.002 0.000 1.289 2489 F CB 0.367 39.323 39.000 -0.074 0.000 1.718 2489 F HN 0.264 nan 8.300 nan 0.000 0.480 2490 G N 0.575 109.543 108.800 0.279 0.000 3.626 2490 G HA2 -0.210 3.751 3.960 0.000 0.000 0.241 2490 G HA3 -0.210 3.751 3.960 0.000 0.000 0.241 2490 G C 0.622 175.635 174.900 0.189 0.000 1.824 2490 G CA 0.468 45.678 45.100 0.183 0.000 1.511 2490 G HN 0.312 nan 8.290 nan 0.000 0.600 2491 K N 0.830 121.352 120.400 0.204 0.000 2.434 2491 K HA 0.178 4.498 4.320 0.000 0.000 0.170 2491 K C 1.252 177.943 176.600 0.152 0.000 1.738 2491 K CA 1.561 57.943 56.287 0.158 0.000 1.027 2491 K CB -0.451 32.108 32.500 0.099 0.000 1.595 2491 K HN 0.763 nan 8.250 nan 0.000 0.546 2492 E N 0.528 120.853 120.200 0.209 0.000 1.916 2492 E HA -0.224 4.126 4.350 0.000 0.000 0.236 2492 E C -0.100 176.579 176.600 0.132 0.000 0.885 2492 E CA 1.824 58.337 56.400 0.190 0.000 1.047 2492 E CB -0.464 29.396 29.700 0.267 0.000 0.795 2492 E HN 0.161 nan 8.360 nan 0.000 0.601 2493 D N 0.308 120.802 120.400 0.157 0.000 2.344 2493 D HA 0.030 4.670 4.640 0.000 0.000 0.242 2493 D C 1.240 177.435 176.300 -0.175 0.000 1.159 2493 D CA 0.117 54.134 54.000 0.030 0.000 0.859 2493 D CB 0.205 41.062 40.800 0.095 0.000 0.925 2493 D HN 0.155 nan 8.370 nan 0.000 0.510 2494 L N -0.496 120.634 121.223 -0.156 0.000 2.585 2494 L HA 0.146 4.486 4.340 0.000 0.000 0.226 2494 L C 1.502 178.291 176.870 -0.134 0.000 1.113 2494 L CA 0.575 55.255 54.840 -0.268 0.000 0.876 2494 L CB 0.136 42.117 42.059 -0.130 0.000 1.072 2494 L HN -0.071 nan 8.230 nan 0.000 0.468 2495 C N -0.611 118.647 119.300 -0.071 0.000 2.514 2495 C HA 0.356 4.816 4.460 0.000 0.000 0.271 2495 C C 2.307 177.258 174.990 -0.064 0.000 1.399 2495 C CA 0.288 59.278 59.018 -0.047 0.000 1.765 2495 C CB -1.130 26.602 27.740 -0.015 0.000 1.893 2495 C HN 0.688 nan 8.230 nan 0.000 0.531 2496 A N 0.354 123.122 122.820 -0.086 0.000 3.951 2496 A HA 0.506 4.826 4.320 0.000 0.000 0.167 2496 A C 1.531 179.045 177.584 -0.117 0.000 1.664 2496 A CA 1.094 53.076 52.037 -0.091 0.000 1.093 2496 A CB -0.943 18.004 19.000 -0.089 0.000 1.149 2496 A HN 0.609 nan 8.150 nan 0.000 0.424 2497 G N -2.350 106.359 108.800 -0.151 0.000 5.103 2497 G HA2 0.280 4.240 3.960 0.000 0.000 0.233 2497 G HA3 0.280 4.240 3.960 0.000 0.000 0.233 2497 G C 0.624 175.381 174.900 -0.238 0.000 0.910 2497 G CA 0.138 45.135 45.100 -0.171 0.000 0.763 2497 G HN 0.220 nan 8.290 nan 0.000 0.290 2498 K N 0.216 120.454 120.400 -0.270 0.000 2.190 2498 K HA 0.432 4.752 4.320 0.000 0.000 0.202 2498 K C 1.721 178.111 176.600 -0.351 0.000 1.045 2498 K CA 1.357 57.402 56.287 -0.403 0.000 0.976 2498 K CB 0.321 32.627 32.500 -0.323 0.000 0.849 2498 K HN 0.689 nan 8.250 nan 0.000 0.468 2499 G N 0.562 109.166 108.800 -0.328 0.000 3.035 2499 G HA2 -0.221 3.739 3.960 0.000 0.000 0.242 2499 G HA3 -0.221 3.739 3.960 0.000 0.000 0.242 2499 G C -0.858 173.614 174.900 -0.713 0.000 1.524 2499 G CA -0.316 44.481 45.100 -0.505 0.000 1.038 2499 G HN 0.102 nan 8.290 nan 0.000 0.561 2500 F N 1.474 121.560 119.950 0.227 0.000 2.573 2500 F HA 0.634 5.162 4.527 0.000 0.000 0.316 2500 F C 0.015 175.743 175.800 -0.119 0.000 1.148 2500 F CA -0.541 57.499 58.000 0.067 0.000 0.940 2500 F CB 2.331 41.218 39.000 -0.187 0.000 1.214 2500 F HN 0.543 nan 8.300 nan 0.000 0.448 2501 Q N 4.585 124.147 119.800 -0.397 0.000 2.368 2501 Q HA 0.575 4.915 4.340 0.000 0.000 0.256 2501 Q C -1.585 174.155 176.000 -0.433 0.000 0.980 2501 Q CA -0.444 54.702 55.803 -1.096 0.000 0.887 2501 Q CB 0.977 28.738 28.738 -1.628 0.000 1.221 2501 Q HN 0.771 nan 8.270 nan 0.000 0.458 2502 L N 4.267 125.293 121.223 -0.330 0.000 2.283 2502 L HA 0.547 4.887 4.340 0.000 0.000 0.281 2502 L C 0.456 177.233 176.870 -0.155 0.000 1.033 2502 L CA -0.503 54.233 54.840 -0.174 0.000 0.848 2502 L CB 0.823 42.807 42.059 -0.125 0.000 1.226 2502 L HN 0.926 nan 8.230 nan 0.000 0.429 2503 A N 2.431 125.173 122.820 -0.130 0.000 4.501 2503 A HA -0.312 4.008 4.320 0.000 0.000 0.780 2503 A C 1.231 178.761 177.584 -0.089 0.000 2.014 2503 A CA 0.968 52.950 52.037 -0.091 0.000 2.491 2503 A CB -0.557 18.417 19.000 -0.044 0.000 1.446 2503 A HN 1.035 nan 8.150 nan 0.000 0.741 2504 D N -2.093 118.275 120.400 -0.053 0.000 2.778 2504 D HA -0.110 4.530 4.640 0.000 0.000 0.192 2504 D C 1.336 177.600 176.300 -0.060 0.000 1.100 2504 D CA 4.068 58.047 54.000 -0.034 0.000 1.025 2504 D CB -1.168 39.631 40.800 -0.002 0.000 1.093 2504 D HN 2.736 nan 8.370 nan 0.000 0.400 2505 G N -2.042 106.689 108.800 -0.116 0.000 2.337 2505 G HA2 0.433 4.393 3.960 0.000 0.000 0.197 2505 G HA3 0.433 4.393 3.960 0.000 0.000 0.197 2505 G C 0.565 175.342 174.900 -0.206 0.000 1.238 2505 G CA 0.745 45.757 45.100 -0.147 0.000 1.119 2505 G HN 1.436 nan 8.290 nan 0.000 0.514 2506 G N -1.887 106.823 108.800 -0.149 0.000 3.044 2506 G HA2 0.113 4.073 3.960 0.000 0.000 0.648 2506 G HA3 0.113 4.073 3.960 0.000 0.000 0.648 2506 G C -0.286 174.456 174.900 -0.263 0.000 1.620 2506 G CA 0.685 45.719 45.100 -0.110 0.000 1.109 2506 G HN 1.675 nan 8.290 nan 0.000 0.587 2507 W N 0.329 121.589 121.300 -0.066 0.000 2.702 2507 W HA 0.600 5.261 4.660 0.000 0.000 0.331 2507 W C -0.016 176.438 176.519 -0.108 0.000 1.049 2507 W CA -0.920 56.379 57.345 -0.077 0.000 1.230 2507 W CB 1.879 31.294 29.460 -0.075 0.000 1.408 2507 W HN 0.585 nan 8.180 nan 0.000 0.492 2508 L N 4.901 126.197 121.223 0.121 0.000 2.309 2508 L HA 0.556 4.896 4.340 0.000 0.000 0.282 2508 L C -0.377 176.535 176.870 0.070 0.000 1.036 2508 L CA -0.391 54.428 54.840 -0.036 0.000 0.806 2508 L CB 0.796 42.717 42.059 -0.229 0.000 1.220 2508 L HN 0.407 nan 8.230 nan 0.000 0.429 2509 I N 6.425 126.998 120.570 0.005 0.000 2.373 2509 I HA 0.227 4.397 4.170 0.000 0.000 0.287 2509 I C -1.748 174.364 176.117 -0.009 0.000 1.124 2509 I CA -1.557 59.742 61.300 -0.001 0.000 1.273 2509 I CB -0.070 37.921 38.000 -0.015 0.000 1.578 2509 I HN 0.505 nan 8.210 nan 0.000 0.572 2510 P HA -0.218 nan 4.420 nan 0.000 0.050 2510 P C 0.569 177.883 177.300 0.024 0.000 0.666 2510 P CA 0.643 63.760 63.100 0.027 0.000 0.994 2510 P CB -0.535 31.185 31.700 0.032 0.000 1.734 2511 S N 1.811 117.531 115.700 0.035 0.000 3.116 2511 S HA -0.177 4.293 4.470 0.000 0.000 0.373 2511 S C 1.707 176.327 174.600 0.033 0.000 1.193 2511 S CA 0.039 58.261 58.200 0.037 0.000 0.972 2511 S CB -0.041 63.197 63.200 0.064 0.000 0.671 2511 S HN 0.320 nan 8.310 nan 0.000 0.488 2512 N N 4.496 123.206 118.700 0.018 0.000 1.285 2512 N HA -0.293 4.447 4.740 0.000 0.000 0.117 2512 N C 0.998 176.520 175.510 0.021 0.000 0.384 2512 N CA 2.250 55.307 53.050 0.012 0.000 0.817 2512 N CB -1.275 37.219 38.487 0.012 0.000 0.792 2512 N HN 0.791 nan 8.380 nan 0.000 1.363 2513 D N 1.492 121.907 120.400 0.026 0.000 2.381 2513 D HA -0.114 4.526 4.640 0.000 0.000 0.212 2513 D C 1.127 177.450 176.300 0.039 0.000 0.988 2513 D CA 1.524 55.541 54.000 0.028 0.000 0.942 2513 D CB -0.374 40.443 40.800 0.028 0.000 0.882 2513 D HN 0.776 nan 8.370 nan 0.000 0.480 2514 G N 0.609 109.439 108.800 0.050 0.000 2.145 2514 G HA2 -0.220 3.741 3.960 0.000 0.000 0.176 2514 G HA3 -0.220 3.741 3.960 0.000 0.000 0.176 2514 G C -0.084 174.873 174.900 0.095 0.000 1.013 2514 G CA -0.348 44.794 45.100 0.071 0.000 0.689 2514 G HN 0.278 nan 8.290 nan 0.000 0.506 2515 K N -0.293 120.165 120.400 0.096 0.000 2.371 2515 K HA 0.789 5.109 4.320 0.000 0.000 0.251 2515 K C -0.411 176.292 176.600 0.171 0.000 0.934 2515 K CA -0.291 56.072 56.287 0.126 0.000 0.798 2515 K CB 2.493 35.046 32.500 0.089 0.000 1.204 2515 K HN 0.725 nan 8.250 nan 0.000 0.427 2516 A N 1.704 124.690 122.820 0.277 0.000 2.410 2516 A HA 0.724 5.045 4.320 0.000 0.000 0.289 2516 A C -0.422 177.599 177.584 0.728 0.000 1.200 2516 A CA -0.415 51.856 52.037 0.391 0.000 0.751 2516 A CB 1.142 20.306 19.000 0.273 0.000 1.161 2516 A HN 0.821 nan 8.150 nan 0.000 0.459 2517 G N 0.501 109.624 108.800 0.539 0.000 3.085 2517 G HA2 0.446 4.406 3.960 0.000 0.000 0.264 2517 G HA3 0.446 4.406 3.960 0.000 0.000 0.264 2517 G C 0.773 175.653 174.900 -0.033 0.000 1.206 2517 G CA 0.194 45.478 45.100 0.307 0.000 0.809 2517 G HN 0.741 nan 8.290 nan 0.000 0.592 2518 K N -0.139 119.949 120.400 -0.519 0.000 1.989 2518 K HA -0.309 4.012 4.320 0.000 0.000 0.230 2518 K C 2.117 178.670 176.600 -0.078 0.000 0.947 2518 K CA 2.819 58.788 56.287 -0.530 0.000 1.009 2518 K CB -0.445 31.931 32.500 -0.206 0.000 0.725 2518 K HN 0.494 nan 8.250 nan 0.000 0.511 2519 E N 0.516 120.756 120.200 0.066 0.000 2.028 2519 E HA -0.263 4.087 4.350 0.000 0.000 0.217 2519 E C 1.925 178.678 176.600 0.255 0.000 1.039 2519 E CA 2.182 58.690 56.400 0.181 0.000 0.882 2519 E CB -0.658 29.129 29.700 0.145 0.000 0.794 2519 E HN 0.427 nan 8.360 nan 0.000 0.488 2520 E N 0.433 120.768 120.200 0.224 0.000 2.241 2520 E HA -0.251 4.099 4.350 0.000 0.000 0.244 2520 E C 1.941 178.657 176.600 0.194 0.000 1.070 2520 E CA 2.308 58.812 56.400 0.172 0.000 0.998 2520 E CB -0.877 28.908 29.700 0.141 0.000 0.879 2520 E HN 0.234 nan 8.360 nan 0.000 0.501 2521 F N -0.644 119.355 119.950 0.082 0.000 2.184 2521 F HA -0.243 4.284 4.527 0.000 0.000 0.301 2521 F C 2.345 178.233 175.800 0.147 0.000 1.076 2521 F CA 1.458 59.523 58.000 0.107 0.000 1.295 2521 F CB -0.953 38.130 39.000 0.138 0.000 1.026 2521 F HN 0.176 nan 8.300 nan 0.000 0.494 2522 Y N 1.457 121.900 120.300 0.237 0.000 2.097 2522 Y HA -0.221 4.329 4.550 0.000 0.000 0.282 2522 Y C 2.460 178.418 175.900 0.098 0.000 1.152 2522 Y CA 1.550 59.743 58.100 0.155 0.000 1.136 2522 Y CB -0.520 38.010 38.460 0.116 0.000 0.975 2522 Y HN -0.142 nan 8.280 nan 0.000 0.498 2523 R N 0.440 120.831 120.500 -0.182 0.000 2.057 2523 R HA 0.009 4.349 4.340 0.000 0.000 0.229 2523 R C 2.438 178.658 176.300 -0.133 0.000 1.136 2523 R CA 1.205 57.124 56.100 -0.301 0.000 0.952 2523 R CB -1.480 28.729 30.300 -0.151 0.000 0.848 2523 R HN 0.423 nan 8.270 nan 0.000 0.430 2524 A N 1.302 124.102 122.820 -0.034 0.000 2.272 2524 A HA -0.118 4.202 4.320 0.000 0.000 0.213 2524 A C 1.920 179.500 177.584 -0.006 0.000 1.183 2524 A CA 0.940 52.961 52.037 -0.026 0.000 0.719 2524 A CB -0.336 18.603 19.000 -0.101 0.000 0.771 2524 A HN 0.253 nan 8.150 nan 0.000 0.484 2525 L N -2.266 118.958 121.223 0.001 0.000 2.435 2525 L HA 0.128 4.469 4.340 0.000 0.000 0.195 2525 L C 2.194 179.008 176.870 -0.093 0.000 1.072 2525 L CA 1.659 56.505 54.840 0.009 0.000 0.833 2525 L CB -0.882 41.248 42.059 0.119 0.000 1.081 2525 L HN 0.254 nan 8.230 nan 0.000 0.485 2526 C N 1.869 121.067 119.300 -0.170 0.000 2.396 2526 C HA -0.151 4.309 4.460 0.000 0.000 0.277 2526 C C 2.165 177.068 174.990 -0.144 0.000 1.231 2526 C CA 1.212 60.103 59.018 -0.211 0.000 1.775 2526 C CB -1.354 26.182 27.740 -0.340 0.000 2.036 2526 C HN 0.800 nan 8.230 nan 0.000 0.484 2527 D N -0.314 120.025 120.400 -0.102 0.000 2.349 2527 D HA -0.028 4.612 4.640 0.000 0.000 0.224 2527 D C 0.425 176.705 176.300 -0.034 0.000 1.029 2527 D CA 0.330 54.302 54.000 -0.047 0.000 0.879 2527 D CB -0.768 40.036 40.800 0.007 0.000 0.906 2527 D HN 0.316 nan 8.370 nan 0.000 0.528 2528 T N 2.523 117.038 114.554 -0.064 0.000 2.884 2528 T HA 0.257 4.607 4.350 0.000 0.000 0.298 2528 T C -2.409 172.246 174.700 -0.076 0.000 0.998 2528 T CA -1.054 61.007 62.100 -0.065 0.000 1.124 2528 T CB 1.214 70.043 68.868 -0.065 0.000 0.931 2528 T HN -0.035 nan 8.240 nan 0.000 0.531 2529 P HA -0.044 nan 4.420 nan 0.000 0.267 2529 P C 1.195 178.462 177.300 -0.054 0.000 1.175 2529 P CA 1.180 64.256 63.100 -0.041 0.000 0.763 2529 P CB 0.111 31.797 31.700 -0.025 0.000 0.795 2530 G N 0.786 109.563 108.800 -0.039 0.000 2.230 2530 G HA2 -0.298 3.662 3.960 0.000 0.000 0.270 2530 G HA3 -0.298 3.662 3.960 0.000 0.000 0.270 2530 G C 0.227 175.081 174.900 -0.077 0.000 0.987 2530 G CA 0.440 45.532 45.100 -0.014 0.000 0.664 2530 G HN 0.549 nan 8.290 nan 0.000 0.539 2531 V N 1.283 121.073 119.914 -0.206 0.000 2.408 2531 V HA 0.393 4.513 4.120 0.000 0.000 0.267 2531 V C 0.177 176.124 176.094 -0.246 0.000 1.047 2531 V CA -0.018 62.024 62.300 -0.429 0.000 0.937 2531 V CB 1.657 33.254 31.823 -0.377 0.000 0.999 2531 V HN 0.311 nan 8.190 nan 0.000 0.472 2532 D N 8.098 128.379 120.400 -0.199 0.000 2.540 2532 D HA 0.270 4.910 4.640 0.000 0.000 0.251 2532 D C -1.352 174.915 176.300 -0.055 0.000 1.159 2532 D CA -2.312 51.653 54.000 -0.057 0.000 0.974 2532 D CB 1.295 42.125 40.800 0.050 0.000 0.996 2532 D HN 0.289 nan 8.370 nan 0.000 0.512 2533 P HA -0.157 nan 4.420 nan 0.000 0.245 2533 P C 0.813 178.114 177.300 0.002 0.000 1.203 2533 P CA 0.548 63.614 63.100 -0.056 0.000 0.754 2533 P CB 0.107 31.731 31.700 -0.127 0.000 0.896 2534 K N -0.089 120.313 120.400 0.002 0.000 2.379 2534 K HA 0.047 4.367 4.320 0.000 0.000 0.194 2534 K C 0.940 177.550 176.600 0.018 0.000 1.031 2534 K CA 0.192 56.490 56.287 0.018 0.000 1.037 2534 K CB 0.172 32.685 32.500 0.022 0.000 0.824 2534 K HN 0.047 nan 8.250 nan 0.000 0.516 2535 L N 2.052 123.280 121.223 0.009 0.000 3.014 2535 L HA 0.369 4.709 4.340 0.000 0.000 0.263 2535 L C 0.340 177.128 176.870 -0.136 0.000 1.207 2535 L CA 0.085 54.918 54.840 -0.012 0.000 1.017 2535 L CB -0.277 41.810 42.059 0.047 0.000 1.360 2535 L HN 0.209 nan 8.230 nan 0.000 0.560 2536 I N -2.809 117.671 120.570 -0.151 0.000 3.279 2536 I HA 0.744 4.914 4.170 0.000 0.000 0.315 2536 I C -0.610 175.443 176.117 -0.107 0.000 1.225 2536 I CA -0.479 60.616 61.300 -0.342 0.000 0.947 2536 I CB 2.485 40.204 38.000 -0.469 0.000 1.293 2536 I HN -0.017 nan 8.210 nan 0.000 0.468 2537 S N 0.817 116.421 115.700 -0.159 0.000 2.704 2537 S HA 0.388 4.858 4.470 0.000 0.000 0.296 2537 S C 0.277 174.481 174.600 -0.659 0.000 1.138 2537 S CA -0.051 58.028 58.200 -0.202 0.000 0.875 2537 S CB 1.369 64.547 63.200 -0.037 0.000 1.151 2537 S HN 0.785 nan 8.310 nan 0.000 0.500 2538 S N -0.411 114.777 115.700 -0.853 0.000 2.603 2538 S HA 0.102 4.572 4.470 0.000 0.000 0.220 2538 S C 1.285 175.706 174.600 -0.299 0.000 0.967 2538 S CA 0.488 58.120 58.200 -0.946 0.000 0.920 2538 S CB -1.088 61.792 63.200 -0.534 0.000 0.773 2538 S HN 0.645 nan 8.310 nan 0.000 0.529 2539 I N -2.950 117.541 120.570 -0.130 0.000 2.947 2539 I HA 0.315 4.485 4.170 0.000 0.000 0.263 2539 I C 2.116 178.298 176.117 0.109 0.000 1.130 2539 I CA -0.134 61.157 61.300 -0.015 0.000 1.448 2539 I CB -0.973 37.025 38.000 -0.004 0.000 1.222 2539 I HN 0.363 nan 8.210 nan 0.000 0.453 2540 W N 2.691 123.969 121.300 -0.036 0.000 2.359 2540 W HA -0.134 4.526 4.660 0.000 0.000 0.275 2540 W C 1.309 177.939 176.519 0.185 0.000 1.217 2540 W CA 1.407 58.811 57.345 0.098 0.000 1.196 2540 W CB 0.254 29.800 29.460 0.144 0.000 1.129 2540 W HN -0.056 nan 8.180 nan 0.000 0.566 2541 V N 0.469 120.717 119.914 0.557 0.000 3.621 2541 V HA 0.170 4.290 4.120 0.000 0.000 0.285 2541 V C 1.799 178.023 176.094 0.215 0.000 1.346 2541 V CA 0.909 63.508 62.300 0.499 0.000 1.104 2541 V CB -0.494 31.594 31.823 0.441 0.000 0.913 2541 V HN 0.271 nan 8.190 nan 0.000 0.432 2542 A N 1.077 123.943 122.820 0.078 0.000 1.984 2542 A HA -0.053 4.267 4.320 0.000 0.000 0.214 2542 A C 2.137 179.656 177.584 -0.109 0.000 1.173 2542 A CA 1.231 53.263 52.037 -0.008 0.000 0.673 2542 A CB -0.341 18.620 19.000 -0.064 0.000 0.830 2542 A HN 0.547 nan 8.150 nan 0.000 0.453 2543 N N 0.032 118.603 118.700 -0.214 0.000 2.083 2543 N HA -0.212 4.528 4.740 0.000 0.000 0.190 2543 N C 1.545 176.695 175.510 -0.601 0.000 1.047 2543 N CA 1.665 54.403 53.050 -0.520 0.000 0.845 2543 N CB -0.785 37.426 38.487 -0.461 0.000 1.025 2543 N HN 0.525 nan 8.380 nan 0.000 0.428 2544 H N -0.610 118.315 119.070 -0.242 0.000 2.426 2544 H HA -0.147 4.410 4.556 0.000 0.000 0.298 2544 H C 1.755 177.049 175.328 -0.058 0.000 1.107 2544 H CA 1.329 57.275 56.048 -0.170 0.000 1.298 2544 H CB -0.590 29.062 29.762 -0.184 0.000 1.377 2544 H HN 0.407 nan 8.280 nan 0.000 0.519 2545 Y N 1.937 122.220 120.300 -0.029 0.000 2.070 2545 Y HA -0.255 4.295 4.550 0.000 0.000 0.279 2545 Y C 2.870 178.704 175.900 -0.111 0.000 1.134 2545 Y CA 1.952 60.027 58.100 -0.043 0.000 1.113 2545 Y CB -0.489 37.938 38.460 -0.055 0.000 0.981 2545 Y HN -0.049 nan 8.280 nan 0.000 0.487 2546 R N -0.384 119.954 120.500 -0.270 0.000 2.179 2546 R HA -0.316 4.024 4.340 0.000 0.000 0.238 2546 R C 2.301 178.460 176.300 -0.235 0.000 1.119 2546 R CA 2.871 58.703 56.100 -0.447 0.000 0.915 2546 R CB -1.306 28.567 30.300 -0.712 0.000 0.870 2546 R HN 0.633 nan 8.270 nan 0.000 0.432 2547 W N 0.561 121.790 121.300 -0.118 0.000 2.278 2547 W HA -0.322 4.338 4.660 0.000 0.000 0.336 2547 W C 2.351 178.844 176.519 -0.043 0.000 1.322 2547 W CA 0.960 58.287 57.345 -0.029 0.000 1.217 2547 W CB -0.657 28.712 29.460 -0.152 0.000 1.140 2547 W HN 0.220 nan 8.180 nan 0.000 0.465 2548 I N -0.104 120.554 120.570 0.147 0.000 2.094 2548 I HA -0.457 3.713 4.170 0.000 0.000 0.236 2548 I C 2.209 178.302 176.117 -0.041 0.000 1.016 2548 I CA 2.206 63.517 61.300 0.018 0.000 1.294 2548 I CB -1.647 36.356 38.000 0.006 0.000 1.006 2548 I HN -0.066 nan 8.210 nan 0.000 0.397 2549 V N 0.243 120.044 119.914 -0.189 0.000 2.225 2549 V HA -0.373 3.747 4.120 0.000 0.000 0.252 2549 V C 2.081 178.085 176.094 -0.149 0.000 1.055 2549 V CA 2.809 64.904 62.300 -0.341 0.000 1.032 2549 V CB -1.088 30.316 31.823 -0.699 0.000 0.655 2549 V HN 0.688 nan 8.190 nan 0.000 0.458 2550 W N 1.533 122.676 121.300 -0.261 0.000 2.277 2550 W HA -0.363 4.297 4.660 0.000 0.000 0.327 2550 W C 2.708 179.164 176.519 -0.104 0.000 1.284 2550 W CA 3.024 60.280 57.345 -0.149 0.000 1.277 2550 W CB -0.827 28.616 29.460 -0.028 0.000 1.141 2550 W HN 0.418 nan 8.180 nan 0.000 0.482 2551 K N -0.301 120.044 120.400 -0.092 0.000 1.980 2551 K HA -0.280 4.040 4.320 0.000 0.000 0.223 2551 K C 2.206 178.693 176.600 -0.188 0.000 1.052 2551 K CA 3.032 59.167 56.287 -0.255 0.000 0.974 2551 K CB -1.087 31.322 32.500 -0.152 0.000 0.734 2551 K HN 0.318 nan 8.250 nan 0.000 0.447 2552 L N 1.017 122.175 121.223 -0.108 0.000 1.980 2552 L HA -0.348 3.992 4.340 0.000 0.000 0.232 2552 L C 2.767 179.594 176.870 -0.072 0.000 1.092 2552 L CA 1.812 56.609 54.840 -0.071 0.000 0.808 2552 L CB -1.361 40.676 42.059 -0.037 0.000 0.908 2552 L HN 0.579 nan 8.230 nan 0.000 0.442 2553 A N -0.001 122.774 122.820 -0.075 0.000 1.887 2553 A HA -0.400 3.920 4.320 0.000 0.000 0.225 2553 A C 2.468 180.053 177.584 0.003 0.000 1.464 2553 A CA 3.542 55.557 52.037 -0.037 0.000 0.717 2553 A CB -1.476 17.505 19.000 -0.031 0.000 0.848 2553 A HN 0.591 nan 8.150 nan 0.000 0.477 2554 A N -1.313 121.477 122.820 -0.049 0.000 1.862 2554 A HA -0.294 4.026 4.320 0.000 0.000 0.217 2554 A C 2.161 179.703 177.584 -0.070 0.000 1.251 2554 A CA 3.022 55.009 52.037 -0.083 0.000 0.673 2554 A CB -0.826 18.023 19.000 -0.253 0.000 0.843 2554 A HN 0.633 nan 8.150 nan 0.000 0.458 2555 M N -1.206 118.302 119.600 -0.154 0.000 2.538 2555 M HA -0.376 4.104 4.480 0.000 0.000 0.254 2555 M C 2.050 178.285 176.300 -0.109 0.000 1.002 2555 M CA 2.658 57.816 55.300 -0.237 0.000 1.026 2555 M CB -1.686 30.713 32.600 -0.335 0.000 1.371 2555 M HN 0.759 nan 8.290 nan 0.000 0.441 2556 E N -0.371 119.831 120.200 0.005 0.000 2.038 2556 E HA -0.112 4.238 4.350 0.000 0.000 0.195 2556 E C 0.614 177.256 176.600 0.070 0.000 1.000 2556 E CA 0.578 57.027 56.400 0.082 0.000 0.803 2556 E CB -0.065 29.668 29.700 0.056 0.000 0.750 2556 E HN 0.412 nan 8.360 nan 0.000 0.448 2557 F N -0.649 119.230 119.950 -0.119 0.000 2.506 2557 F HA 0.116 4.643 4.527 0.000 0.000 0.351 2557 F C 1.367 176.996 175.800 -0.284 0.000 1.136 2557 F CA 0.183 58.074 58.000 -0.181 0.000 1.298 2557 F CB 0.683 39.589 39.000 -0.158 0.000 1.145 2557 F HN 0.352 nan 8.300 nan 0.000 0.593 2558 A N 3.431 126.273 122.820 0.038 0.000 4.320 2558 A HA -0.334 3.986 4.320 0.000 0.000 0.253 2558 A C 0.091 177.355 177.584 -0.534 0.000 0.699 2558 A CA 1.875 53.645 52.037 -0.446 0.000 1.188 2558 A CB -2.007 16.531 19.000 -0.770 0.000 1.126 2558 A HN 0.651 nan 8.150 nan 0.000 0.699 2559 F N -0.447 119.421 119.950 -0.137 0.000 2.584 2559 F HA 0.375 4.902 4.527 0.000 0.000 0.328 2559 F C -1.408 174.405 175.800 0.020 0.000 1.407 2559 F CA -1.558 56.378 58.000 -0.106 0.000 1.145 2559 F CB 1.339 40.224 39.000 -0.191 0.000 1.440 2559 F HN 0.119 nan 8.300 nan 0.000 0.580 2560 P HA -0.078 nan 4.420 nan 0.000 0.214 2560 P C 1.380 178.693 177.300 0.021 0.000 1.144 2560 P CA 0.829 63.918 63.100 -0.019 0.000 0.884 2560 P CB 0.437 31.914 31.700 -0.372 0.000 0.784 2561 K N 0.417 120.781 120.400 -0.061 0.000 2.678 2561 K HA -0.144 4.176 4.320 0.000 0.000 0.194 2561 K C 0.459 177.109 176.600 0.084 0.000 1.031 2561 K CA 1.044 57.387 56.287 0.093 0.000 0.961 2561 K CB -0.092 32.461 32.500 0.089 0.000 0.793 2561 K HN 0.074 nan 8.250 nan 0.000 0.492 2562 E N -2.051 118.209 120.200 0.100 0.000 2.641 2562 E HA 0.197 4.547 4.350 0.000 0.000 0.201 2562 E C -0.880 175.584 176.600 -0.226 0.000 0.921 2562 E CA -0.088 56.298 56.400 -0.025 0.000 1.551 2562 E CB 0.490 30.245 29.700 0.092 0.000 1.640 2562 E HN 0.020 nan 8.360 nan 0.000 0.906 2563 F N -0.263 119.700 119.950 0.022 0.000 2.613 2563 F HA 0.839 5.367 4.527 0.000 0.000 0.314 2563 F C 0.244 176.065 175.800 0.035 0.000 1.075 2563 F CA -0.903 57.114 58.000 0.029 0.000 0.945 2563 F CB 1.908 40.932 39.000 0.040 0.000 1.310 2563 F HN -0.020 nan 8.300 nan 0.000 0.467 2564 A N 0.948 123.907 122.820 0.232 0.000 4.729 2564 A HA 0.346 4.666 4.320 0.000 0.000 0.170 2564 A C -0.405 177.263 177.584 0.139 0.000 0.741 2564 A CA -0.427 51.701 52.037 0.152 0.000 0.936 2564 A CB 0.222 19.291 19.000 0.116 0.000 1.982 2564 A HN 0.654 nan 8.150 nan 0.000 0.938 2565 N N 0.705 119.470 118.700 0.110 0.000 2.375 2565 N HA 0.029 4.769 4.740 0.000 0.000 0.220 2565 N C 0.529 176.073 175.510 0.057 0.000 1.170 2565 N CA 0.004 53.114 53.050 0.101 0.000 0.833 2565 N CB -0.017 38.552 38.487 0.136 0.000 1.069 2565 N HN 0.555 nan 8.380 nan 0.000 0.479 2566 R N -0.516 120.030 120.500 0.077 0.000 2.276 2566 R HA 0.150 4.490 4.340 0.000 0.000 0.203 2566 R C 1.003 177.349 176.300 0.078 0.000 1.017 2566 R CA 0.607 56.738 56.100 0.052 0.000 1.010 2566 R CB -0.034 30.290 30.300 0.040 0.000 0.900 2566 R HN 0.284 nan 8.270 nan 0.000 0.469 2567 C N -0.358 119.011 119.300 0.116 0.000 2.700 2567 C HA 0.216 4.676 4.460 0.000 0.000 0.297 2567 C C 1.352 176.420 174.990 0.129 0.000 1.293 2567 C CA -0.386 58.707 59.018 0.126 0.000 1.756 2567 C CB -0.189 27.634 27.740 0.139 0.000 2.210 2567 C HN 0.257 nan 8.230 nan 0.000 0.553 2568 L N 2.097 123.396 121.223 0.128 0.000 2.693 2568 L HA 0.101 4.441 4.340 0.000 0.000 0.242 2568 L C -0.174 176.842 176.870 0.243 0.000 1.157 2568 L CA 0.880 55.867 54.840 0.244 0.000 0.929 2568 L CB -1.648 40.541 42.059 0.217 0.000 1.103 2568 L HN 0.283 nan 8.230 nan 0.000 0.430 2569 N N 0.416 119.155 118.700 0.065 0.000 2.402 2569 N HA 0.146 4.886 4.740 0.000 0.000 0.252 2569 N C -1.677 173.822 175.510 -0.019 0.000 1.118 2569 N CA -1.358 51.651 53.050 -0.069 0.000 0.945 2569 N CB 0.620 39.061 38.487 -0.077 0.000 1.147 2569 N HN -0.122 nan 8.380 nan 0.000 0.495 2570 P HA -0.269 nan 4.420 nan 0.000 0.220 2570 P C 0.720 178.066 177.300 0.077 0.000 1.142 2570 P CA 1.268 64.293 63.100 -0.125 0.000 0.801 2570 P CB 0.251 31.716 31.700 -0.391 0.000 0.764 2571 E N -0.453 119.748 120.200 0.001 0.000 2.008 2571 E HA -0.197 4.153 4.350 0.000 0.000 0.191 2571 E C 2.164 178.804 176.600 0.067 0.000 0.986 2571 E CA 0.531 56.940 56.400 0.014 0.000 0.807 2571 E CB -0.802 28.885 29.700 -0.022 0.000 0.766 2571 E HN -0.035 nan 8.360 nan 0.000 0.450 2572 R N 1.504 122.040 120.500 0.059 0.000 2.143 2572 R HA -0.229 4.111 4.340 0.000 0.000 0.239 2572 R C 2.316 178.698 176.300 0.135 0.000 1.126 2572 R CA 2.441 58.591 56.100 0.084 0.000 0.927 2572 R CB -1.062 29.288 30.300 0.084 0.000 0.860 2572 R HN 0.185 nan 8.270 nan 0.000 0.433 2573 V N 0.766 120.790 119.914 0.183 0.000 2.227 2573 V HA -0.325 3.795 4.120 0.000 0.000 0.249 2573 V C 2.288 178.544 176.094 0.270 0.000 1.046 2573 V CA 2.211 64.662 62.300 0.251 0.000 1.015 2573 V CB -0.945 31.107 31.823 0.382 0.000 0.648 2573 V HN 0.485 nan 8.190 nan 0.000 0.460 2574 L N -0.808 120.620 121.223 0.342 0.000 2.283 2574 L HA -0.224 4.116 4.340 0.000 0.000 0.217 2574 L C 2.069 179.074 176.870 0.226 0.000 1.104 2574 L CA 1.655 56.697 54.840 0.337 0.000 0.772 2574 L CB -0.556 41.667 42.059 0.273 0.000 0.899 2574 L HN 0.267 nan 8.230 nan 0.000 0.439 2575 L N -1.404 119.926 121.223 0.179 0.000 1.948 2575 L HA -0.271 4.069 4.340 0.000 0.000 0.212 2575 L C 2.624 179.616 176.870 0.204 0.000 1.074 2575 L CA 1.773 56.703 54.840 0.150 0.000 0.753 2575 L CB -0.459 41.662 42.059 0.103 0.000 0.888 2575 L HN 0.344 nan 8.230 nan 0.000 0.432 2576 Q N -0.366 119.562 119.800 0.214 0.000 2.112 2576 Q HA -0.266 4.074 4.340 0.000 0.000 0.206 2576 Q C 2.293 178.461 176.000 0.280 0.000 0.987 2576 Q CA 1.536 57.513 55.803 0.290 0.000 0.858 2576 Q CB -0.311 28.556 28.738 0.215 0.000 0.905 2576 Q HN 0.449 nan 8.270 nan 0.000 0.420 2577 L N 0.866 122.234 121.223 0.243 0.000 2.064 2577 L HA -0.291 4.049 4.340 0.000 0.000 0.216 2577 L C 2.602 179.660 176.870 0.313 0.000 1.077 2577 L CA 1.441 56.442 54.840 0.270 0.000 0.766 2577 L CB -0.473 41.777 42.059 0.320 0.000 0.890 2577 L HN 0.112 nan 8.230 nan 0.000 0.435 2578 K N -1.026 119.552 120.400 0.297 0.000 2.031 2578 K HA -0.207 4.113 4.320 0.000 0.000 0.205 2578 K C 2.154 179.022 176.600 0.445 0.000 1.049 2578 K CA 1.257 57.730 56.287 0.310 0.000 0.939 2578 K CB -0.547 32.083 32.500 0.217 0.000 0.717 2578 K HN 0.154 nan 8.250 nan 0.000 0.438 2579 Y N 2.903 123.350 120.300 0.244 0.000 1.929 2579 Y HA -0.393 4.157 4.550 0.000 0.000 0.247 2579 Y C 2.094 178.191 175.900 0.328 0.000 1.176 2579 Y CA 2.313 60.576 58.100 0.270 0.000 1.075 2579 Y CB -0.911 37.661 38.460 0.187 0.000 0.907 2579 Y HN 0.090 nan 8.280 nan 0.000 0.499 2580 R N -0.978 119.698 120.500 0.293 0.000 2.189 2580 R HA -0.341 3.999 4.340 0.000 0.000 0.252 2580 R C 2.114 178.659 176.300 0.408 0.000 1.134 2580 R CA 2.404 58.608 56.100 0.174 0.000 0.954 2580 R CB -1.964 28.263 30.300 -0.122 0.000 0.890 2580 R HN 0.616 nan 8.270 nan 0.000 0.443 2581 Y N 2.525 123.049 120.300 0.373 0.000 2.040 2581 Y HA -0.284 4.266 4.550 0.000 0.000 0.275 2581 Y C 1.641 177.699 175.900 0.262 0.000 1.171 2581 Y CA 2.301 60.602 58.100 0.336 0.000 1.123 2581 Y CB -0.630 37.967 38.460 0.227 0.000 0.963 2581 Y HN 0.185 nan 8.280 nan 0.000 0.493 2582 D N -0.708 119.844 120.400 0.254 0.000 2.311 2582 D HA -0.146 4.494 4.640 0.000 0.000 0.212 2582 D C 1.853 178.245 176.300 0.153 0.000 0.972 2582 D CA 1.539 55.588 54.000 0.082 0.000 0.887 2582 D CB -0.125 40.781 40.800 0.177 0.000 0.915 2582 D HN 0.365 nan 8.370 nan 0.000 0.497 2583 V N -0.128 119.928 119.914 0.237 0.000 2.695 2583 V HA -0.044 4.076 4.120 0.000 0.000 0.230 2583 V C 2.198 178.323 176.094 0.052 0.000 1.110 2583 V CA 0.484 62.884 62.300 0.168 0.000 1.159 2583 V CB -0.920 30.955 31.823 0.088 0.000 0.875 2583 V HN 0.018 nan 8.190 nan 0.000 0.502 2584 E N -0.006 120.244 120.200 0.083 0.000 2.219 2584 E HA -0.221 4.129 4.350 0.000 0.000 0.198 2584 E C 1.811 178.489 176.600 0.129 0.000 0.998 2584 E CA 1.800 58.261 56.400 0.101 0.000 0.818 2584 E CB 0.088 29.976 29.700 0.313 0.000 0.741 2584 E HN 0.586 nan 8.360 nan 0.000 0.477 2585 I N 0.199 120.812 120.570 0.072 0.000 3.578 2585 I HA -0.046 4.124 4.170 0.000 0.000 0.238 2585 I C 1.870 177.896 176.117 -0.151 0.000 1.080 2585 I CA 0.298 61.567 61.300 -0.052 0.000 1.538 2585 I CB -1.580 36.284 38.000 -0.227 0.000 1.477 2585 I HN -0.032 nan 8.210 nan 0.000 0.464 2586 D N 1.925 122.138 120.400 -0.312 0.000 2.192 2586 D HA -0.230 4.410 4.640 0.000 0.000 0.189 2586 D C 1.684 177.921 176.300 -0.104 0.000 1.007 2586 D CA 1.745 55.599 54.000 -0.244 0.000 0.859 2586 D CB -0.214 40.422 40.800 -0.274 0.000 0.936 2586 D HN 0.370 nan 8.370 nan 0.000 0.447 2587 N N -0.850 117.822 118.700 -0.047 0.000 2.294 2587 N HA -0.012 4.728 4.740 0.000 0.000 0.186 2587 N C -0.269 175.236 175.510 -0.008 0.000 1.107 2587 N CA 0.256 53.304 53.050 -0.004 0.000 0.884 2587 N CB 0.770 39.291 38.487 0.057 0.000 1.030 2587 N HN -0.090 nan 8.380 nan 0.000 0.482 2588 S N 0.852 116.543 115.700 -0.015 0.000 3.578 2588 S HA -0.185 4.285 4.470 0.000 0.000 0.449 2588 S C -0.341 174.235 174.600 -0.039 0.000 0.853 2588 S CA 0.174 58.365 58.200 -0.015 0.000 1.348 2588 S CB -1.015 62.181 63.200 -0.007 0.000 0.907 2588 S HN 0.351 nan 8.310 nan 0.000 0.627 2589 R N 2.100 122.554 120.500 -0.076 0.000 2.320 2589 R HA 0.384 4.724 4.340 0.000 0.000 0.319 2589 R C -0.044 176.120 176.300 -0.227 0.000 0.969 2589 R CA -0.671 55.350 56.100 -0.133 0.000 0.857 2589 R CB 0.907 31.127 30.300 -0.132 0.000 1.160 2589 R HN 0.377 nan 8.270 nan 0.000 0.491 2590 R N 1.089 121.471 120.500 -0.197 0.000 2.438 2590 R HA 0.097 4.437 4.340 0.000 0.000 0.287 2590 R C 0.652 176.735 176.300 -0.361 0.000 1.077 2590 R CA -0.111 55.855 56.100 -0.223 0.000 1.034 2590 R CB 0.866 31.093 30.300 -0.121 0.000 0.993 2590 R HN 0.623 nan 8.270 nan 0.000 0.459 2591 S N 2.330 117.757 115.700 -0.455 0.000 2.592 2591 S HA 0.041 4.511 4.470 0.000 0.000 0.256 2591 S C 1.429 175.811 174.600 -0.363 0.000 1.369 2591 S CA -0.105 57.761 58.200 -0.557 0.000 0.984 2591 S CB 0.811 63.694 63.200 -0.529 0.000 0.919 2591 S HN 0.671 nan 8.310 nan 0.000 0.576 2592 A N 1.570 124.162 122.820 -0.380 0.000 1.829 2592 A HA -0.002 4.318 4.320 0.000 0.000 0.216 2592 A C 2.319 179.806 177.584 -0.163 0.000 1.207 2592 A CA 1.810 53.555 52.037 -0.486 0.000 0.622 2592 A CB -1.491 17.337 19.000 -0.286 0.000 0.846 2592 A HN 0.857 nan 8.150 nan 0.000 0.447 2593 L N -0.605 120.627 121.223 0.016 0.000 1.957 2593 L HA -0.332 4.008 4.340 0.000 0.000 0.228 2593 L C 2.686 179.600 176.870 0.074 0.000 1.086 2593 L CA 2.488 57.388 54.840 0.100 0.000 0.796 2593 L CB -0.880 41.279 42.059 0.167 0.000 0.900 2593 L HN 0.579 nan 8.230 nan 0.000 0.439 2594 K N 0.457 120.933 120.400 0.126 0.000 2.163 2594 K HA -0.296 4.024 4.320 0.000 0.000 0.210 2594 K C 2.164 178.753 176.600 -0.018 0.000 1.048 2594 K CA 2.193 58.497 56.287 0.028 0.000 0.928 2594 K CB -0.112 32.437 32.500 0.082 0.000 0.716 2594 K HN 0.165 nan 8.250 nan 0.000 0.459 2595 K N 0.200 120.568 120.400 -0.052 0.000 2.217 2595 K HA -0.048 4.272 4.320 0.000 0.000 0.202 2595 K C 1.972 178.576 176.600 0.006 0.000 1.051 2595 K CA 1.035 57.281 56.287 -0.068 0.000 0.952 2595 K CB 0.058 32.446 32.500 -0.186 0.000 0.736 2595 K HN 0.274 nan 8.250 nan 0.000 0.453 2596 I N 0.014 120.613 120.570 0.049 0.000 2.927 2596 I HA -0.061 4.109 4.170 0.000 0.000 0.268 2596 I C 1.369 177.524 176.117 0.063 0.000 1.153 2596 I CA 0.208 61.569 61.300 0.102 0.000 1.459 2596 I CB 0.311 38.422 38.000 0.184 0.000 1.149 2596 I HN 0.106 nan 8.210 nan 0.000 0.443 2597 L N 0.741 121.993 121.223 0.047 0.000 2.642 2597 L HA -0.109 4.231 4.340 0.000 0.000 0.236 2597 L C 0.725 177.602 176.870 0.013 0.000 1.169 2597 L CA 1.064 55.921 54.840 0.029 0.000 0.851 2597 L CB -0.332 41.736 42.059 0.016 0.000 0.968 2597 L HN 0.302 nan 8.230 nan 0.000 0.453 2598 E N 0.066 120.274 120.200 0.014 0.000 2.736 2598 E HA 0.100 4.450 4.350 0.000 0.000 0.208 2598 E C -0.117 176.493 176.600 0.017 0.000 0.996 2598 E CA -0.367 56.037 56.400 0.008 0.000 1.104 2598 E CB 0.399 30.097 29.700 -0.002 0.000 1.111 2598 E HN 0.132 nan 8.360 nan 0.000 0.455 2599 R N 0.881 121.396 120.500 0.026 0.000 3.238 2599 R HA -0.223 4.117 4.340 0.000 0.000 0.235 2599 R C -0.380 175.936 176.300 0.028 0.000 0.921 2599 R CA 0.731 56.847 56.100 0.028 0.000 0.625 2599 R CB -1.277 29.034 30.300 0.020 0.000 1.028 2599 R HN 0.352 nan 8.270 nan 0.000 0.478 2600 D N -0.595 119.825 120.400 0.034 0.000 2.455 2600 D HA 0.059 4.699 4.640 0.000 0.000 0.228 2600 D C 0.011 176.339 176.300 0.046 0.000 1.070 2600 D CA 0.381 54.399 54.000 0.030 0.000 0.881 2600 D CB 0.427 41.236 40.800 0.016 0.000 1.087 2600 D HN 0.264 nan 8.370 nan 0.000 0.498 2601 D N -0.726 119.720 120.400 0.077 0.000 2.619 2601 D HA 0.235 4.875 4.640 0.000 0.000 0.241 2601 D C -0.809 175.575 176.300 0.141 0.000 1.087 2601 D CA -0.386 53.688 54.000 0.123 0.000 0.851 2601 D CB 1.426 42.337 40.800 0.185 0.000 1.474 2601 D HN -0.315 nan 8.370 nan 0.000 0.478 2602 T N 2.134 116.747 114.554 0.099 0.000 2.510 2602 T HA 0.170 4.520 4.350 0.000 0.000 0.218 2602 T C 0.456 175.179 174.700 0.038 0.000 1.031 2602 T CA 0.715 62.840 62.100 0.041 0.000 1.169 2602 T CB -0.076 68.788 68.868 -0.006 0.000 1.007 2602 T HN 0.465 nan 8.240 nan 0.000 0.462 2603 A N 3.814 126.647 122.820 0.022 0.000 2.364 2603 A HA 0.576 4.896 4.320 0.000 0.000 0.258 2603 A C 1.398 178.963 177.584 -0.031 0.000 1.131 2603 A CA -0.159 51.893 52.037 0.025 0.000 0.800 2603 A CB -0.405 18.606 19.000 0.019 0.000 1.086 2603 A HN 1.528 nan 8.150 nan 0.000 0.508 2604 A N -0.015 122.799 122.820 -0.009 0.000 2.905 2604 A HA 0.009 4.329 4.320 0.000 0.000 0.302 2604 A C 1.060 178.590 177.584 -0.089 0.000 1.754 2604 A CA 1.542 53.556 52.037 -0.039 0.000 1.224 2604 A CB -1.276 17.722 19.000 -0.003 0.000 0.808 2604 A HN 0.823 nan 8.150 nan 0.000 0.518 2605 K N 0.742 121.030 120.400 -0.187 0.000 3.623 2605 K HA 0.307 4.627 4.320 0.000 0.000 0.187 2605 K C 0.332 176.826 176.600 -0.177 0.000 1.136 2605 K CA 0.413 56.594 56.287 -0.176 0.000 1.555 2605 K CB -0.347 32.018 32.500 -0.226 0.000 2.144 2605 K HN 0.383 nan 8.250 nan 0.000 0.483 2606 T N 0.350 114.755 114.554 -0.247 0.000 2.875 2606 T HA 0.650 5.000 4.350 0.000 0.000 0.284 2606 T C -0.585 174.021 174.700 -0.156 0.000 0.995 2606 T CA -0.818 61.185 62.100 -0.162 0.000 1.060 2606 T CB 1.233 70.043 68.868 -0.097 0.000 0.967 2606 T HN 0.251 nan 8.240 nan 0.000 0.476 2607 L N 2.019 123.205 121.223 -0.061 0.000 2.592 2607 L HA 0.535 4.875 4.340 0.000 0.000 0.258 2607 L C -1.373 175.510 176.870 0.022 0.000 0.926 2607 L CA -0.635 54.237 54.840 0.053 0.000 0.885 2607 L CB 2.571 44.670 42.059 0.067 0.000 1.380 2607 L HN 0.661 nan 8.230 nan 0.000 0.415 2608 V N 4.625 124.583 119.914 0.072 0.000 2.444 2608 V HA 0.666 4.786 4.120 0.000 0.000 0.294 2608 V C -0.312 175.797 176.094 0.025 0.000 1.022 2608 V CA -0.489 61.821 62.300 0.017 0.000 0.850 2608 V CB 1.533 33.373 31.823 0.028 0.000 0.992 2608 V HN 0.541 nan 8.190 nan 0.000 0.426 2609 L N 3.193 124.418 121.223 0.003 0.000 2.322 2609 L HA 0.719 5.059 4.340 0.000 0.000 0.252 2609 L C -0.871 175.990 176.870 -0.016 0.000 1.055 2609 L CA -0.554 54.285 54.840 -0.002 0.000 0.849 2609 L CB 2.337 44.407 42.059 0.017 0.000 1.446 2609 L HN 0.652 nan 8.230 nan 0.000 0.416 2610 C N 2.069 121.356 119.300 -0.022 0.000 2.455 2610 C HA 0.586 5.046 4.460 0.000 0.000 0.320 2610 C C 0.072 175.093 174.990 0.052 0.000 1.226 2610 C CA -0.762 58.257 59.018 0.002 0.000 1.569 2610 C CB 0.569 28.287 27.740 -0.036 0.000 2.200 2610 C HN 0.628 nan 8.230 nan 0.000 0.491 2611 I N 4.384 125.001 120.570 0.079 0.000 2.452 2611 I HA 0.309 4.479 4.170 0.000 0.000 0.287 2611 I C 0.892 177.103 176.117 0.157 0.000 1.079 2611 I CA 0.437 61.791 61.300 0.090 0.000 1.387 2611 I CB 0.921 38.961 38.000 0.067 0.000 1.404 2611 I HN 0.706 nan 8.210 nan 0.000 0.522 2612 S N 3.392 119.159 115.700 0.112 0.000 2.427 2612 S HA 0.046 4.516 4.470 0.000 0.000 0.224 2612 S C 0.404 174.992 174.600 -0.019 0.000 1.047 2612 S CA 0.621 58.861 58.200 0.066 0.000 0.953 2612 S CB 0.084 63.354 63.200 0.116 0.000 0.824 2612 S HN 0.895 nan 8.310 nan 0.000 0.502 2613 D N -0.922 119.483 120.400 0.009 0.000 2.626 2613 D HA 0.505 5.145 4.640 0.000 0.000 0.278 2613 D C -1.084 175.215 176.300 -0.001 0.000 1.211 2613 D CA -0.586 53.403 54.000 -0.017 0.000 0.903 2613 D CB 1.550 42.328 40.800 -0.038 0.000 1.408 2613 D HN 0.117 nan 8.370 nan 0.000 0.454 2638 D N 2.620 123.018 120.400 -0.004 0.000 2.133 2638 D HA 0.061 4.701 4.640 0.000 0.000 0.192 2638 D C 1.070 177.369 176.300 -0.002 0.000 1.001 2638 D CA 2.762 56.760 54.000 -0.003 0.000 0.844 2638 D CB 0.064 40.862 40.800 -0.002 0.000 0.944 2638 D HN 0.947 nan 8.370 nan 0.000 0.447 2639 T N -2.533 112.021 114.554 0.001 0.000 2.749 2639 T HA 0.556 4.906 4.350 0.000 0.000 0.310 2639 T C -0.623 174.081 174.700 0.007 0.000 1.496 2639 T CA -1.107 60.996 62.100 0.004 0.000 1.006 2639 T CB 1.454 70.326 68.868 0.007 0.000 1.457 2639 T HN 0.025 nan 8.240 nan 0.000 0.497 2640 I N -2.407 118.171 120.570 0.012 0.000 3.108 2640 I HA 0.865 5.035 4.170 0.000 0.000 0.312 2640 I C -0.508 175.624 176.117 0.026 0.000 1.095 2640 I CA -1.317 59.993 61.300 0.016 0.000 1.000 2640 I CB 1.679 39.689 38.000 0.017 0.000 1.229 2640 I HN 0.907 nan 8.210 nan 0.000 0.454 2641 E N 1.868 122.088 120.200 0.032 0.000 2.204 2641 E HA 0.711 5.061 4.350 0.000 0.000 0.276 2641 E C -1.607 175.027 176.600 0.057 0.000 0.974 2641 E CA -0.703 55.727 56.400 0.050 0.000 0.815 2641 E CB 1.280 31.014 29.700 0.058 0.000 1.119 2641 E HN 0.612 nan 8.360 nan 0.000 0.393 2642 L N 2.589 123.848 121.223 0.061 0.000 2.381 2642 L HA 0.495 4.835 4.340 0.000 0.000 0.268 2642 L C -0.182 176.709 176.870 0.034 0.000 0.997 2642 L CA -0.786 54.081 54.840 0.046 0.000 0.818 2642 L CB 2.213 44.298 42.059 0.043 0.000 1.310 2642 L HN 0.516 nan 8.230 nan 0.000 0.416 2643 T N -1.506 113.029 114.554 -0.032 0.000 2.893 2643 T HA 0.292 4.642 4.350 0.000 0.000 0.291 2643 T C -0.134 174.484 174.700 -0.137 0.000 1.028 2643 T CA -0.586 61.428 62.100 -0.145 0.000 0.995 2643 T CB 1.542 70.115 68.868 -0.492 0.000 1.051 2643 T HN 0.773 nan 8.240 nan 0.000 0.470 2644 D N 1.242 121.575 120.400 -0.112 0.000 2.363 2644 D HA 0.256 4.896 4.640 0.000 0.000 0.214 2644 D C 1.385 177.659 176.300 -0.043 0.000 1.093 2644 D CA 0.587 54.564 54.000 -0.039 0.000 0.837 2644 D CB -0.106 40.713 40.800 0.032 0.000 0.948 2644 D HN 1.081 nan 8.370 nan 0.000 0.507 2645 G N 0.051 108.667 108.800 -0.307 0.000 2.259 2645 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 2645 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 2645 G C 0.601 175.042 174.900 -0.764 0.000 1.001 2645 G CA 0.103 44.917 45.100 -0.477 0.000 0.627 2645 G HN 0.287 nan 8.290 nan 0.000 0.501 2646 W N -0.267 120.670 121.300 -0.605 0.000 2.952 2646 W HA 0.607 5.267 4.660 0.000 0.000 0.251 2646 W C 0.909 176.831 176.519 -0.996 0.000 1.144 2646 W CA 0.400 57.291 57.345 -0.755 0.000 1.551 2646 W CB 0.265 29.288 29.460 -0.728 0.000 0.978 2646 W HN 0.236 nan 8.180 nan 0.000 0.648 2647 Y N -0.767 119.672 120.300 0.231 0.000 2.615 2647 Y HA 0.686 5.236 4.550 0.000 0.000 0.341 2647 Y C -0.259 175.755 175.900 0.190 0.000 1.089 2647 Y CA -2.107 56.160 58.100 0.278 0.000 1.049 2647 Y CB 1.275 39.830 38.460 0.160 0.000 1.296 2647 Y HN -0.281 nan 8.280 nan 0.000 0.470 2648 A N 1.241 124.314 122.820 0.421 0.000 2.374 2648 A HA 0.775 5.095 4.320 0.000 0.000 0.305 2648 A C -0.927 176.767 177.584 0.183 0.000 1.053 2648 A CA -0.578 51.619 52.037 0.266 0.000 0.726 2648 A CB 0.922 20.135 19.000 0.355 0.000 1.229 2648 A HN 0.899 nan 8.150 nan 0.000 0.431 2649 V N 0.772 120.761 119.914 0.126 0.000 3.302 2649 V HA 0.896 5.016 4.120 0.000 0.000 0.304 2649 V C -0.331 175.804 176.094 0.069 0.000 1.209 2649 V CA -1.211 61.142 62.300 0.087 0.000 1.032 2649 V CB 1.403 33.270 31.823 0.074 0.000 1.219 2649 V HN 0.890 nan 8.190 nan 0.000 0.469 2650 R N 0.924 121.454 120.500 0.049 0.000 2.514 2650 R HA 0.845 5.185 4.340 0.000 0.000 0.301 2650 R C -0.213 176.107 176.300 0.034 0.000 0.962 2650 R CA 0.227 56.350 56.100 0.038 0.000 0.882 2650 R CB 1.566 31.882 30.300 0.027 0.000 1.143 2650 R HN 1.135 nan 8.270 nan 0.000 0.452 2651 A N 1.537 124.375 122.820 0.031 0.000 2.269 2651 A HA 0.459 4.780 4.320 0.000 0.000 0.319 2651 A C -0.808 176.788 177.584 0.019 0.000 1.110 2651 A CA -0.502 51.551 52.037 0.027 0.000 0.847 2651 A CB 1.094 20.110 19.000 0.028 0.000 1.161 2651 A HN 0.526 nan 8.150 nan 0.000 0.497 2652 Q N 1.089 120.899 119.800 0.017 0.000 2.347 2652 Q HA 0.548 4.888 4.340 0.000 0.000 0.262 2652 Q C -1.439 174.567 176.000 0.009 0.000 0.980 2652 Q CA -0.022 55.788 55.803 0.011 0.000 0.867 2652 Q CB 0.679 29.422 28.738 0.010 0.000 1.242 2652 Q HN 0.606 nan 8.270 nan 0.000 0.453 2653 L N 3.256 124.481 121.223 0.005 0.000 2.343 2653 L HA 0.456 4.796 4.340 0.000 0.000 0.275 2653 L C -0.066 176.800 176.870 -0.006 0.000 1.056 2653 L CA -0.826 54.015 54.840 0.001 0.000 0.804 2653 L CB 1.346 43.404 42.059 -0.002 0.000 1.203 2653 L HN 0.798 nan 8.230 nan 0.000 0.440 2654 D N 2.262 122.658 120.400 -0.007 0.000 2.229 2654 D HA 0.321 4.961 4.640 0.000 0.000 0.249 2654 D C -1.915 174.358 176.300 -0.046 0.000 1.027 2654 D CA -1.932 52.058 54.000 -0.017 0.000 0.923 2654 D CB 0.886 41.685 40.800 -0.002 0.000 1.174 2654 D HN 0.131 nan 8.370 nan 0.000 0.443 2655 P HA -0.265 nan 4.420 nan 0.000 0.232 2655 P C -1.174 176.027 177.300 -0.166 0.000 1.135 2655 P CA 2.712 65.754 63.100 -0.097 0.000 0.969 2655 P CB -1.383 30.262 31.700 -0.090 0.000 0.777 2656 P HA 0.018 nan 4.420 nan 0.000 0.230 2656 P C 2.016 179.175 177.300 -0.234 0.000 1.168 2656 P CA 0.815 63.651 63.100 -0.441 0.000 0.793 2656 P CB -0.291 30.784 31.700 -1.041 0.000 0.851 2657 L N -1.172 119.988 121.223 -0.106 0.000 2.044 2657 L HA -0.107 4.233 4.340 0.000 0.000 0.205 2657 L C 2.796 179.639 176.870 -0.046 0.000 1.075 2657 L CA 1.229 56.048 54.840 -0.035 0.000 0.747 2657 L CB -0.973 41.085 42.059 -0.003 0.000 0.903 2657 L HN -0.096 nan 8.230 nan 0.000 0.435 2658 M N 0.230 119.796 119.600 -0.056 0.000 2.110 2658 M HA -0.237 4.243 4.480 0.000 0.000 0.257 2658 M C 2.532 178.798 176.300 -0.057 0.000 1.071 2658 M CA 2.227 57.498 55.300 -0.048 0.000 1.096 2658 M CB -1.562 31.007 32.600 -0.052 0.000 1.300 2658 M HN 0.295 nan 8.290 nan 0.000 0.411 2659 A N -0.523 122.243 122.820 -0.090 0.000 2.186 2659 A HA -0.092 4.228 4.320 0.000 0.000 0.219 2659 A C 2.303 179.847 177.584 -0.067 0.000 1.159 2659 A CA 1.186 53.168 52.037 -0.092 0.000 0.680 2659 A CB -0.738 18.174 19.000 -0.147 0.000 0.787 2659 A HN 0.498 nan 8.150 nan 0.000 0.467 2660 L N -1.800 119.391 121.223 -0.053 0.000 2.187 2660 L HA -0.022 4.318 4.340 0.000 0.000 0.197 2660 L C 2.431 179.293 176.870 -0.013 0.000 1.090 2660 L CA 0.522 55.349 54.840 -0.022 0.000 0.781 2660 L CB -0.619 41.440 42.059 -0.002 0.000 0.956 2660 L HN 0.156 nan 8.230 nan 0.000 0.463 2661 V N 0.564 120.471 119.914 -0.011 0.000 2.317 2661 V HA -0.362 3.758 4.120 0.000 0.000 0.251 2661 V C 2.512 178.600 176.094 -0.010 0.000 1.065 2661 V CA 1.892 64.189 62.300 -0.006 0.000 1.049 2661 V CB -0.658 31.163 31.823 -0.005 0.000 0.651 2661 V HN 0.403 nan 8.190 nan 0.000 0.450 2662 K N 0.634 121.023 120.400 -0.017 0.000 2.026 2662 K HA -0.157 4.163 4.320 0.000 0.000 0.208 2662 K C 2.321 178.912 176.600 -0.015 0.000 1.048 2662 K CA 1.871 58.147 56.287 -0.018 0.000 0.929 2662 K CB -0.399 32.086 32.500 -0.026 0.000 0.713 2662 K HN 0.662 nan 8.250 nan 0.000 0.439 2663 S N -0.544 115.147 115.700 -0.016 0.000 2.481 2663 S HA 0.028 4.498 4.470 0.000 0.000 0.231 2663 S C 1.392 175.988 174.600 -0.007 0.000 0.996 2663 S CA 0.634 58.827 58.200 -0.012 0.000 0.942 2663 S CB 0.070 63.263 63.200 -0.012 0.000 0.768 2663 S HN 0.487 nan 8.310 nan 0.000 0.520 2664 G N 1.463 110.260 108.800 -0.005 0.000 2.132 2664 G HA2 -0.196 3.764 3.960 0.000 0.000 0.228 2664 G HA3 -0.196 3.764 3.960 0.000 0.000 0.228 2664 G C 0.486 175.386 174.900 -0.000 0.000 1.000 2664 G CA 0.178 45.276 45.100 -0.002 0.000 0.693 2664 G HN 0.398 nan 8.290 nan 0.000 0.515 2665 K N -0.697 119.705 120.400 0.003 0.000 2.458 2665 K HA 0.433 4.753 4.320 0.000 0.000 0.194 2665 K C 0.557 177.164 176.600 0.012 0.000 1.024 2665 K CA 0.128 56.420 56.287 0.008 0.000 1.108 2665 K CB 0.451 32.960 32.500 0.015 0.000 0.846 2665 K HN 0.560 nan 8.250 nan 0.000 0.518 2666 L N -0.003 121.226 121.223 0.010 0.000 2.562 2666 L HA 0.241 4.581 4.340 0.000 0.000 0.266 2666 L C -1.024 175.854 176.870 0.014 0.000 0.949 2666 L CA -0.177 54.671 54.840 0.014 0.000 0.879 2666 L CB 2.291 44.361 42.059 0.018 0.000 1.278 2666 L HN -0.045 nan 8.230 nan 0.000 0.404 2667 T N 2.641 117.206 114.554 0.017 0.000 2.906 2667 T HA 0.624 4.974 4.350 0.000 0.000 0.295 2667 T C -0.416 174.311 174.700 0.045 0.000 1.061 2667 T CA -0.529 61.584 62.100 0.023 0.000 1.000 2667 T CB 1.493 70.368 68.868 0.012 0.000 1.103 2667 T HN 0.234 nan 8.240 nan 0.000 0.486 2668 V N 3.120 123.070 119.914 0.061 0.000 2.814 2668 V HA 0.378 4.498 4.120 0.000 0.000 0.307 2668 V C 2.025 178.231 176.094 0.186 0.000 1.089 2668 V CA 1.631 64.001 62.300 0.116 0.000 1.212 2668 V CB 0.237 32.119 31.823 0.099 0.000 0.912 2668 V HN 1.540 nan 8.190 nan 0.000 0.497 2669 G N 2.706 111.675 108.800 0.281 0.000 2.195 2669 G HA2 -0.209 3.752 3.960 0.000 0.000 0.246 2669 G HA3 -0.209 3.752 3.960 0.000 0.000 0.246 2669 G C 0.163 175.090 174.900 0.045 0.000 0.984 2669 G CA 0.188 45.426 45.100 0.231 0.000 0.633 2669 G HN 0.678 nan 8.290 nan 0.000 0.525 2670 Q N 0.320 120.149 119.800 0.049 0.000 2.299 2670 Q HA 0.526 4.867 4.340 0.000 0.000 0.246 2670 Q C -0.175 175.830 176.000 0.008 0.000 0.935 2670 Q CA 0.067 55.879 55.803 0.014 0.000 0.887 2670 Q CB 0.884 29.631 28.738 0.015 0.000 1.223 2670 Q HN 0.354 nan 8.270 nan 0.000 0.439 2671 K N 2.341 122.735 120.400 -0.010 0.000 2.185 2671 K HA 0.480 4.800 4.320 0.000 0.000 0.269 2671 K C -0.241 176.341 176.600 -0.029 0.000 0.987 2671 K CA -0.284 55.987 56.287 -0.026 0.000 0.865 2671 K CB 1.022 33.491 32.500 -0.051 0.000 1.090 2671 K HN 0.497 nan 8.250 nan 0.000 0.450 2672 I N -0.057 120.499 120.570 -0.023 0.000 2.910 2672 I HA 0.624 4.794 4.170 0.000 0.000 0.310 2672 I C -0.812 175.279 176.117 -0.043 0.000 1.043 2672 I CA -1.205 60.080 61.300 -0.024 0.000 1.053 2672 I CB 1.802 39.804 38.000 0.003 0.000 1.242 2672 I HN 0.608 nan 8.210 nan 0.000 0.452 2673 I N 3.270 123.805 120.570 -0.059 0.000 2.512 2673 I HA 0.478 4.648 4.170 0.000 0.000 0.287 2673 I C -0.491 175.618 176.117 -0.013 0.000 1.069 2673 I CA 0.017 61.256 61.300 -0.102 0.000 1.056 2673 I CB 1.843 39.677 38.000 -0.277 0.000 1.229 2673 I HN 0.990 nan 8.210 nan 0.000 0.429 2674 T N 3.188 117.750 114.554 0.014 0.000 2.938 2674 T HA 0.582 4.932 4.350 0.000 0.000 0.285 2674 T C -0.520 174.226 174.700 0.078 0.000 1.028 2674 T CA -0.504 61.636 62.100 0.067 0.000 1.005 2674 T CB 2.164 71.050 68.868 0.030 0.000 1.157 2674 T HN 0.741 nan 8.240 nan 0.000 0.550 2675 Q N -1.110 118.714 119.800 0.040 0.000 2.495 2675 Q HA 0.521 4.861 4.340 0.000 0.000 0.287 2675 Q C 0.615 176.583 176.000 -0.053 0.000 1.078 2675 Q CA -0.732 55.062 55.803 -0.016 0.000 0.793 2675 Q CB 1.734 30.409 28.738 -0.104 0.000 1.459 2675 Q HN 1.273 nan 8.270 nan 0.000 0.422 2676 G N 1.108 109.873 108.800 -0.059 0.000 2.386 2676 G HA2 -0.238 3.722 3.960 0.000 0.000 0.286 2676 G HA3 -0.238 3.722 3.960 0.000 0.000 0.286 2676 G C 0.410 175.296 174.900 -0.022 0.000 0.831 2676 G CA 0.926 46.006 45.100 -0.033 0.000 1.018 2676 G HN 0.666 nan 8.290 nan 0.000 0.486 2677 A N -0.575 122.232 122.820 -0.022 0.000 2.404 2677 A HA 0.734 5.054 4.320 0.000 0.000 0.258 2677 A C 0.734 178.316 177.584 -0.003 0.000 1.644 2677 A CA 0.928 52.961 52.037 -0.007 0.000 0.847 2677 A CB 0.371 19.373 19.000 0.003 0.000 1.473 2677 A HN 0.951 nan 8.150 nan 0.000 0.602 2678 E N -2.758 117.446 120.200 0.006 0.000 2.380 2678 E HA 0.395 4.745 4.350 0.000 0.000 0.281 2678 E C -2.209 174.400 176.600 0.014 0.000 0.999 2678 E CA -0.740 55.665 56.400 0.007 0.000 0.800 2678 E CB 1.267 30.969 29.700 0.004 0.000 1.228 2678 E HN 0.426 nan 8.360 nan 0.000 0.436 2679 L N 4.549 125.781 121.223 0.016 0.000 2.270 2679 L HA 0.376 4.717 4.340 0.000 0.000 0.286 2679 L C -1.196 175.683 176.870 0.015 0.000 1.059 2679 L CA -0.240 54.612 54.840 0.020 0.000 0.839 2679 L CB 0.688 42.762 42.059 0.025 0.000 1.221 2679 L HN 0.362 nan 8.230 nan 0.000 0.431 2680 V N 4.300 124.223 119.914 0.015 0.000 2.863 2680 V HA 0.890 5.010 4.120 0.000 0.000 0.307 2680 V C 0.762 176.863 176.094 0.012 0.000 1.061 2680 V CA 0.089 62.396 62.300 0.011 0.000 1.024 2680 V CB 0.896 32.725 31.823 0.010 0.000 1.049 2680 V HN 1.047 nan 8.190 nan 0.000 0.471 2681 G N 2.559 111.364 108.800 0.010 0.000 2.730 2681 G HA2 0.050 4.010 3.960 0.000 0.000 0.686 2681 G HA3 0.050 4.010 3.960 0.000 0.000 0.686 2681 G C 0.000 174.906 174.900 0.010 0.000 1.343 2681 G CA -0.187 44.919 45.100 0.010 0.000 0.826 2681 G HN 2.371 nan 8.290 nan 0.000 0.582 2682 S N -0.640 115.065 115.700 0.008 0.000 3.818 2682 S HA -0.057 4.413 4.470 0.000 0.000 0.171 2682 S C -0.944 173.661 174.600 0.009 0.000 0.475 2682 S CA 1.032 59.236 58.200 0.008 0.000 1.379 2682 S CB -0.460 62.745 63.200 0.008 0.000 1.480 2682 S HN 0.834 nan 8.310 nan 0.000 0.313 2683 P HA 0.152 nan 4.420 nan 0.000 0.263 2683 P C -0.229 177.076 177.300 0.008 0.000 1.386 2683 P CA 0.402 63.507 63.100 0.008 0.000 0.797 2683 P CB -0.289 31.414 31.700 0.006 0.000 1.381 2684 D N -1.638 118.767 120.400 0.008 0.000 2.340 2684 D HA 0.459 5.099 4.640 0.000 0.000 0.243 2684 D C -0.235 176.070 176.300 0.008 0.000 0.988 2684 D CA -1.320 52.684 54.000 0.007 0.000 0.959 2684 D CB 0.590 41.394 40.800 0.006 0.000 1.226 2684 D HN -0.182 nan 8.370 nan 0.000 0.509 2685 A N 0.945 123.769 122.820 0.008 0.000 2.594 2685 A HA 0.207 4.527 4.320 0.000 0.000 0.291 2685 A C 0.321 177.909 177.584 0.006 0.000 1.374 2685 A CA -0.541 51.501 52.037 0.008 0.000 1.025 2685 A CB -1.243 17.761 19.000 0.008 0.000 1.072 2685 A HN 0.667 nan 8.150 nan 0.000 0.555 2686 C N 3.836 123.139 119.300 0.005 0.000 2.585 2686 C HA 0.559 5.019 4.460 0.000 0.000 0.406 2686 C C 1.277 176.263 174.990 -0.006 0.000 1.312 2686 C CA -0.170 58.848 59.018 0.001 0.000 1.924 2686 C CB -1.062 26.679 27.740 0.002 0.000 2.578 2686 C HN 1.105 nan 8.230 nan 0.000 0.580 2687 A N 7.818 130.633 122.820 -0.008 0.000 2.475 2687 A HA 0.416 4.736 4.320 0.000 0.000 0.239 2687 A C -2.008 175.551 177.584 -0.041 0.000 1.087 2687 A CA -0.473 51.556 52.037 -0.014 0.000 0.779 2687 A CB -0.562 18.435 19.000 -0.006 0.000 1.036 2687 A HN 0.818 nan 8.150 nan 0.000 0.506 2688 P HA -0.008 nan 4.420 nan 0.000 0.271 2688 P C 0.431 177.620 177.300 -0.186 0.000 1.233 2688 P CA -0.434 62.572 63.100 -0.157 0.000 0.795 2688 P CB 0.257 31.853 31.700 -0.173 0.000 0.936 2689 L N 2.025 123.061 121.223 -0.311 0.000 2.613 2689 L HA -0.146 4.194 4.340 0.000 0.000 0.304 2689 L C 0.191 176.992 176.870 -0.115 0.000 1.266 2689 L CA 1.759 56.489 54.840 -0.185 0.000 0.868 2689 L CB -0.902 41.049 42.059 -0.181 0.000 1.111 2689 L HN 0.632 nan 8.230 nan 0.000 0.515 2690 E N 1.495 121.668 120.200 -0.045 0.000 4.078 2690 E HA -0.038 4.312 4.350 0.000 0.000 0.219 2690 E C -0.831 175.760 176.600 -0.014 0.000 1.184 2690 E CA 0.753 57.140 56.400 -0.022 0.000 1.019 2690 E CB -1.630 28.058 29.700 -0.020 0.000 1.081 2690 E HN 0.783 nan 8.360 nan 0.000 0.420 2691 A N 1.248 124.064 122.820 -0.008 0.000 3.042 2691 A HA 0.958 5.278 4.320 0.000 0.000 0.229 2691 A C -1.546 176.039 177.584 0.001 0.000 1.185 2691 A CA -0.350 51.685 52.037 -0.003 0.000 0.844 2691 A CB 0.082 19.081 19.000 -0.002 0.000 1.403 2691 A HN 0.186 nan 8.150 nan 0.000 0.555 2692 P HA 0.231 nan 4.420 nan 0.000 0.330 2692 P C -0.750 176.553 177.300 0.005 0.000 1.436 2692 P CA 0.581 63.684 63.100 0.004 0.000 0.845 2692 P CB 0.400 32.103 31.700 0.005 0.000 2.027 2693 D N -2.510 117.894 120.400 0.006 0.000 2.460 2693 D HA -0.009 4.631 4.640 0.000 0.000 0.263 2693 D C 1.697 178.002 176.300 0.007 0.000 1.209 2693 D CA 0.402 54.406 54.000 0.006 0.000 0.818 2693 D CB 0.203 41.006 40.800 0.004 0.000 1.239 2693 D HN 0.333 nan 8.370 nan 0.000 0.530 2694 S N 0.310 116.014 115.700 0.007 0.000 2.387 2694 S HA -0.006 4.464 4.470 0.000 0.000 0.226 2694 S C 1.142 175.747 174.600 0.009 0.000 1.026 2694 S CA -0.031 58.173 58.200 0.007 0.000 0.972 2694 S CB 0.039 63.243 63.200 0.006 0.000 0.814 2694 S HN 0.195 nan 8.310 nan 0.000 0.477 2695 L N 1.492 122.721 121.223 0.011 0.000 2.473 2695 L HA 0.507 4.847 4.340 0.000 0.000 0.268 2695 L C 0.158 177.038 176.870 0.017 0.000 1.215 2695 L CA -0.292 54.557 54.840 0.014 0.000 0.823 2695 L CB 0.579 42.647 42.059 0.016 0.000 1.099 2695 L HN 0.341 nan 8.230 nan 0.000 0.483 2696 R N 1.734 122.246 120.500 0.020 0.000 2.753 2696 R HA 0.431 4.771 4.340 0.000 0.000 0.272 2696 R C -2.029 174.286 176.300 0.026 0.000 1.034 2696 R CA -0.672 55.441 56.100 0.022 0.000 0.869 2696 R CB 0.930 31.240 30.300 0.017 0.000 1.264 2696 R HN 0.417 nan 8.270 nan 0.000 0.481 2697 L N 2.206 123.447 121.223 0.030 0.000 2.276 2697 L HA 0.510 4.850 4.340 0.000 0.000 0.286 2697 L C -0.604 176.281 176.870 0.025 0.000 1.024 2697 L CA -0.053 54.806 54.840 0.032 0.000 0.826 2697 L CB 1.038 43.123 42.059 0.042 0.000 1.211 2697 L HN 0.472 nan 8.230 nan 0.000 0.422 2698 K N 6.692 127.104 120.400 0.020 0.000 2.276 2698 K HA 0.533 4.853 4.320 0.000 0.000 0.285 2698 K C -0.928 175.681 176.600 0.015 0.000 1.062 2698 K CA -0.455 55.841 56.287 0.015 0.000 0.918 2698 K CB 0.486 32.992 32.500 0.011 0.000 1.055 2698 K HN 0.726 nan 8.250 nan 0.000 0.477 2699 I N 0.302 120.881 120.570 0.015 0.000 2.533 2699 I HA 0.384 4.554 4.170 0.000 0.000 0.290 2699 I C -0.838 175.289 176.117 0.016 0.000 1.056 2699 I CA -0.782 60.528 61.300 0.016 0.000 1.057 2699 I CB 2.324 40.337 38.000 0.022 0.000 1.240 2699 I HN 0.278 nan 8.210 nan 0.000 0.423 2700 S N 3.655 119.362 115.700 0.013 0.000 2.489 2700 S HA 0.584 5.054 4.470 0.000 0.000 0.291 2700 S C 1.122 175.743 174.600 0.035 0.000 1.151 2700 S CA -0.099 58.114 58.200 0.021 0.000 1.082 2700 S CB 1.856 65.063 63.200 0.011 0.000 1.019 2700 S HN 0.912 nan 8.310 nan 0.000 0.492 2701 A N 3.759 126.624 122.820 0.075 0.000 1.863 2701 A HA -0.231 4.089 4.320 0.000 0.000 0.218 2701 A C 1.691 179.318 177.584 0.071 0.000 1.233 2701 A CA 1.984 54.099 52.037 0.131 0.000 0.655 2701 A CB -0.934 18.246 19.000 0.300 0.000 0.839 2701 A HN 0.772 nan 8.150 nan 0.000 0.454 2702 N N 0.088 118.814 118.700 0.043 0.000 2.651 2702 N HA -0.036 4.705 4.740 0.000 0.000 0.193 2702 N C 0.945 176.369 175.510 -0.143 0.000 1.149 2702 N CA 1.112 54.121 53.050 -0.068 0.000 0.933 2702 N CB -0.189 38.256 38.487 -0.070 0.000 0.974 2702 N HN 0.462 nan 8.380 nan 0.000 0.448 2703 S N -1.421 114.215 115.700 -0.107 0.000 2.578 2703 S HA 0.076 4.546 4.470 0.000 0.000 0.228 2703 S C 0.687 175.238 174.600 -0.082 0.000 1.022 2703 S CA -0.288 57.811 58.200 -0.168 0.000 0.967 2703 S CB 0.906 64.045 63.200 -0.101 0.000 0.914 2703 S HN 0.502 nan 8.310 nan 0.000 0.515 2704 T N -0.173 114.390 114.554 0.015 0.000 2.901 2704 T HA 0.829 5.179 4.350 0.000 0.000 0.293 2704 T C -0.814 173.967 174.700 0.136 0.000 1.084 2704 T CA -0.785 61.383 62.100 0.113 0.000 1.008 2704 T CB 2.640 71.547 68.868 0.065 0.000 1.170 2704 T HN 0.074 nan 8.240 nan 0.000 0.509 2705 R N 0.428 121.006 120.500 0.130 0.000 2.712 2705 R HA 0.498 4.838 4.340 0.000 0.000 0.272 2705 R C -3.161 173.145 176.300 0.009 0.000 1.032 2705 R CA -1.781 54.367 56.100 0.081 0.000 0.874 2705 R CB 1.953 32.331 30.300 0.130 0.000 1.256 2705 R HN 0.434 nan 8.270 nan 0.000 0.468 2706 P HA 0.039 nan 4.420 nan 0.000 0.265 2706 P C -1.331 175.931 177.300 -0.065 0.000 1.193 2706 P CA 0.403 63.491 63.100 -0.021 0.000 0.765 2706 P CB 0.799 32.496 31.700 -0.005 0.000 0.823 2707 A N 3.969 126.741 122.820 -0.080 0.000 2.311 2707 A HA 0.563 4.883 4.320 0.000 0.000 0.334 2707 A C -0.009 177.495 177.584 -0.133 0.000 1.139 2707 A CA -0.802 51.155 52.037 -0.134 0.000 0.830 2707 A CB 0.980 19.892 19.000 -0.146 0.000 1.234 2707 A HN 0.437 nan 8.150 nan 0.000 0.483 2708 R N 1.453 121.819 120.500 -0.224 0.000 2.643 2708 R HA 0.005 4.345 4.340 0.000 0.000 0.270 2708 R C 1.306 177.410 176.300 -0.326 0.000 1.061 2708 R CA 0.062 55.998 56.100 -0.274 0.000 1.107 2708 R CB 0.413 30.430 30.300 -0.471 0.000 0.999 2708 R HN 1.008 nan 8.270 nan 0.000 0.460 2709 W N 4.626 125.866 121.300 -0.099 0.000 2.290 2709 W HA -0.320 4.340 4.660 0.000 0.000 0.311 2709 W C 0.929 177.467 176.519 0.032 0.000 1.238 2709 W CA 1.753 59.096 57.345 -0.004 0.000 1.255 2709 W CB -0.842 28.662 29.460 0.073 0.000 1.145 2709 W HN 0.704 nan 8.180 nan 0.000 0.506 2710 H N -0.441 118.027 119.070 -1.002 0.000 2.716 2710 H HA 0.152 4.708 4.556 0.000 0.000 0.327 2710 H C 1.849 176.957 175.328 -0.367 0.000 1.135 2710 H CA 1.090 56.650 56.048 -0.814 0.000 1.611 2710 H CB -1.204 27.877 29.762 -1.134 0.000 1.596 2710 H HN 0.062 nan 8.280 nan 0.000 0.725 2711 S N -0.714 114.689 115.700 -0.495 0.000 2.261 2711 S HA -0.217 4.254 4.470 0.000 0.000 0.247 2711 S C 0.081 174.605 174.600 -0.127 0.000 1.195 2711 S CA 1.047 59.060 58.200 -0.311 0.000 1.464 2711 S CB -0.998 62.022 63.200 -0.300 0.000 1.835 2711 S HN 0.667 nan 8.310 nan 0.000 0.598 2712 R N 0.532 120.973 120.500 -0.098 0.000 2.331 2712 R HA -0.141 4.199 4.340 0.000 0.000 0.335 2712 R C 0.040 176.329 176.300 -0.019 0.000 1.089 2712 R CA 0.821 56.891 56.100 -0.051 0.000 0.921 2712 R CB -1.617 28.655 30.300 -0.047 0.000 2.657 2712 R HN 0.570 nan 8.270 nan 0.000 0.496 2713 L N 1.307 122.515 121.223 -0.024 0.000 2.473 2713 L HA 0.166 4.506 4.340 0.000 0.000 0.280 2713 L C 1.633 178.521 176.870 0.031 0.000 1.266 2713 L CA 1.181 56.019 54.840 -0.003 0.000 0.824 2713 L CB -0.147 41.892 42.059 -0.034 0.000 1.091 2713 L HN 0.967 nan 8.230 nan 0.000 0.534 2714 G N -0.338 108.497 108.800 0.058 0.000 2.384 2714 G HA2 -0.154 3.806 3.960 0.000 0.000 0.204 2714 G HA3 -0.154 3.806 3.960 0.000 0.000 0.204 2714 G C -0.352 174.696 174.900 0.246 0.000 1.237 2714 G CA -0.314 44.825 45.100 0.065 0.000 1.060 2714 G HN 0.464 nan 8.290 nan 0.000 0.514 2715 F N -0.711 119.253 119.950 0.024 0.000 2.170 2715 F HA 0.645 5.172 4.527 0.000 0.000 0.180 2715 F C 0.822 176.723 175.800 0.167 0.000 0.656 2715 F CA 0.797 58.837 58.000 0.066 0.000 1.090 2715 F CB 0.216 39.239 39.000 0.037 0.000 2.240 2715 F HN 0.537 nan 8.300 nan 0.000 0.687 2716 F N -0.249 119.799 119.950 0.164 0.000 2.680 2716 F HA 0.173 4.700 4.527 0.000 0.000 0.315 2716 F C 0.557 176.361 175.800 0.007 0.000 1.099 2716 F CA -1.097 56.919 58.000 0.027 0.000 1.033 2716 F CB 0.691 39.669 39.000 -0.037 0.000 1.285 2716 F HN 0.307 nan 8.300 nan 0.000 0.457 2717 R N 1.324 121.412 120.500 -0.687 0.000 2.112 2717 R HA -0.130 4.210 4.340 0.000 0.000 0.242 2717 R C -0.116 176.109 176.300 -0.124 0.000 1.137 2717 R CA 1.922 57.792 56.100 -0.383 0.000 0.944 2717 R CB -0.443 29.580 30.300 -0.460 0.000 0.857 2717 R HN 0.511 nan 8.270 nan 0.000 0.435 2718 D N 1.066 121.470 120.400 0.005 0.000 2.392 2718 D HA 0.170 4.810 4.640 0.000 0.000 0.228 2718 D C -1.608 174.844 176.300 0.254 0.000 1.074 2718 D CA -2.564 51.520 54.000 0.141 0.000 0.838 2718 D CB 1.956 42.842 40.800 0.143 0.000 1.067 2718 D HN 0.046 nan 8.370 nan 0.000 0.511 2719 P HA -0.025 nan 4.420 nan 0.000 0.224 2719 P C 0.567 177.864 177.300 -0.004 0.000 1.157 2719 P CA -0.068 63.062 63.100 0.049 0.000 0.799 2719 P CB 0.477 32.173 31.700 -0.006 0.000 0.809 2720 R N 2.343 122.832 120.500 -0.019 0.000 2.561 2720 R HA 0.081 4.422 4.340 0.000 0.000 0.347 2720 R C -1.992 174.250 176.300 -0.096 0.000 0.916 2720 R CA -1.318 54.723 56.100 -0.099 0.000 1.063 2720 R CB -1.740 28.512 30.300 -0.081 0.000 0.916 2720 R HN 0.103 nan 8.270 nan 0.000 0.410 2721 P HA -0.227 nan 4.420 nan 0.000 0.265 2721 P C -0.946 176.354 177.300 -0.002 0.000 1.132 2721 P CA 0.949 63.948 63.100 -0.168 0.000 0.752 2721 P CB -0.024 31.444 31.700 -0.388 0.000 0.728 2722 F N 4.561 124.434 119.950 -0.130 0.000 2.411 2722 F HA 0.587 5.114 4.527 0.000 0.000 0.355 2722 F C -2.298 173.468 175.800 -0.056 0.000 1.117 2722 F CA -3.450 54.497 58.000 -0.088 0.000 1.139 2722 F CB 0.175 39.097 39.000 -0.129 0.000 1.120 2722 F HN 0.135 nan 8.300 nan 0.000 0.493 2723 P HA 0.228 nan 4.420 nan 0.000 0.276 2723 P C -1.110 176.201 177.300 0.019 0.000 1.230 2723 P CA -0.073 63.047 63.100 0.034 0.000 0.776 2723 P CB 2.009 33.758 31.700 0.082 0.000 0.888 2724 L N 4.602 125.794 121.223 -0.051 0.000 2.279 2724 L HA 0.689 5.029 4.340 0.000 0.000 0.262 2724 L C -2.171 174.672 176.870 -0.045 0.000 1.019 2724 L CA -1.960 52.852 54.840 -0.046 0.000 0.823 2724 L CB 1.606 43.602 42.059 -0.106 0.000 1.358 2724 L HN 0.335 nan 8.230 nan 0.000 0.432 2725 P HA 0.369 nan 4.420 nan 0.000 0.287 2725 P C 0.304 177.561 177.300 -0.072 0.000 1.279 2725 P CA -0.583 62.491 63.100 -0.044 0.000 0.867 2725 P CB 1.469 33.147 31.700 -0.037 0.000 1.127 2726 L N 0.556 121.739 121.223 -0.066 0.000 2.141 2726 L HA -0.135 4.205 4.340 0.000 0.000 0.209 2726 L C 2.497 179.312 176.870 -0.090 0.000 1.094 2726 L CA 1.239 56.031 54.840 -0.081 0.000 0.763 2726 L CB -1.068 40.951 42.059 -0.067 0.000 0.908 2726 L HN 0.353 nan 8.230 nan 0.000 0.437 2727 S N 0.103 115.758 115.700 -0.075 0.000 2.409 2727 S HA -0.233 4.238 4.470 0.000 0.000 0.237 2727 S C 1.612 176.148 174.600 -0.106 0.000 1.060 2727 S CA 1.650 59.805 58.200 -0.074 0.000 1.052 2727 S CB -0.378 62.786 63.200 -0.059 0.000 0.871 2727 S HN 0.715 nan 8.310 nan 0.000 0.465 2728 S N 0.358 115.971 115.700 -0.146 0.000 2.713 2728 S HA 0.606 5.076 4.470 0.000 0.000 0.213 2728 S C 0.209 174.618 174.600 -0.318 0.000 1.176 2728 S CA -0.791 57.263 58.200 -0.243 0.000 1.256 2728 S CB -0.407 62.643 63.200 -0.250 0.000 0.951 2728 S HN 0.363 nan 8.310 nan 0.000 0.506 2729 L N 0.114 121.052 121.223 -0.475 0.000 0.762 2729 L HA -0.126 4.214 4.340 0.000 0.000 0.363 2729 L C -1.489 175.127 176.870 -0.424 0.000 1.004 2729 L CA -0.254 54.337 54.840 -0.416 0.000 1.223 2729 L CB -0.849 41.089 42.059 -0.201 0.000 0.295 2729 L HN 0.607 nan 8.230 nan 0.000 0.182 2730 F N 1.022 120.955 119.950 -0.028 0.000 2.492 2730 F HA 0.436 4.963 4.527 0.000 0.000 0.327 2730 F C 1.407 177.193 175.800 -0.022 0.000 1.079 2730 F CA 0.002 57.988 58.000 -0.022 0.000 0.967 2730 F CB 1.770 40.758 39.000 -0.019 0.000 1.169 2730 F HN 0.513 nan 8.300 nan 0.000 0.472 2731 S N 0.221 116.035 115.700 0.191 0.000 2.348 2731 S HA -0.217 4.253 4.470 0.000 0.000 0.221 2731 S C 1.311 175.963 174.600 0.086 0.000 1.033 2731 S CA 1.644 59.901 58.200 0.094 0.000 1.010 2731 S CB -0.515 62.724 63.200 0.065 0.000 0.891 2731 S HN 0.774 nan 8.310 nan 0.000 0.442 2732 D N 2.185 122.637 120.400 0.087 0.000 2.219 2732 D HA 0.074 4.714 4.640 0.000 0.000 0.205 2732 D C 1.100 177.438 176.300 0.064 0.000 0.970 2732 D CA 0.784 54.810 54.000 0.044 0.000 0.851 2732 D CB -0.933 39.859 40.800 -0.013 0.000 0.943 2732 D HN 0.463 nan 8.370 nan 0.000 0.488 2733 G N 0.137 109.029 108.800 0.153 0.000 2.639 2733 G HA2 0.462 4.422 3.960 0.000 0.000 0.312 2733 G HA3 0.462 4.422 3.960 0.000 0.000 0.312 2733 G C 0.949 175.905 174.900 0.093 0.000 0.911 2733 G CA -0.213 44.986 45.100 0.164 0.000 1.410 2733 G HN 0.380 nan 8.290 nan 0.000 0.469 2734 G N 3.287 112.116 108.800 0.049 0.000 2.871 2734 G HA2 -0.290 3.670 3.960 0.000 0.000 1.024 2734 G HA3 -0.290 3.670 3.960 0.000 0.000 1.024 2734 G C 0.454 175.355 174.900 0.002 0.000 1.385 2734 G CA 0.022 45.134 45.100 0.021 0.000 0.970 2734 G HN 0.846 nan 8.290 nan 0.000 0.578 2735 N N -1.608 117.088 118.700 -0.006 0.000 2.395 2735 N HA 0.257 4.998 4.740 0.000 0.000 0.246 2735 N C 0.054 175.525 175.510 -0.066 0.000 1.246 2735 N CA -0.176 52.862 53.050 -0.020 0.000 0.879 2735 N CB 0.793 39.283 38.487 0.005 0.000 1.098 2735 N HN 0.385 nan 8.380 nan 0.000 0.444 2736 V N 1.876 121.738 119.914 -0.085 0.000 2.320 2736 V HA 0.224 4.344 4.120 0.000 0.000 0.265 2736 V C 1.721 177.705 176.094 -0.184 0.000 1.048 2736 V CA -0.197 62.016 62.300 -0.145 0.000 0.865 2736 V CB 0.348 32.092 31.823 -0.132 0.000 1.043 2736 V HN 0.960 nan 8.190 nan 0.000 0.474 2737 G N 3.392 112.037 108.800 -0.258 0.000 2.562 2737 G HA2 -0.233 3.727 3.960 0.000 0.000 0.223 2737 G HA3 -0.233 3.727 3.960 0.000 0.000 0.223 2737 G C 0.581 175.277 174.900 -0.340 0.000 1.102 2737 G CA 1.339 46.221 45.100 -0.363 0.000 0.742 2737 G HN 0.864 nan 8.290 nan 0.000 0.587 2738 C N -1.531 117.636 119.300 -0.222 0.000 3.268 2738 C HA 0.543 5.003 4.460 0.000 0.000 0.374 2738 C C -1.018 173.923 174.990 -0.083 0.000 1.126 2738 C CA -0.486 58.489 59.018 -0.071 0.000 1.162 2738 C CB 1.077 28.892 27.740 0.126 0.000 1.503 2738 C HN 0.957 nan 8.230 nan 0.000 0.538 2739 V N 1.910 121.780 119.914 -0.072 0.000 2.925 2739 V HA 0.776 4.897 4.120 0.000 0.000 0.311 2739 V C -1.130 174.929 176.094 -0.059 0.000 1.104 2739 V CA -0.104 62.158 62.300 -0.063 0.000 0.954 2739 V CB 1.928 33.707 31.823 -0.073 0.000 1.022 2739 V HN 1.064 nan 8.190 nan 0.000 0.427 2740 D N 4.753 125.145 120.400 -0.014 0.000 2.344 2740 D HA 0.567 5.207 4.640 0.000 0.000 0.239 2740 D C -0.536 175.767 176.300 0.005 0.000 1.064 2740 D CA -0.281 53.717 54.000 -0.004 0.000 0.829 2740 D CB 1.818 42.660 40.800 0.070 0.000 1.129 2740 D HN 0.950 nan 8.370 nan 0.000 0.506 2741 I N 0.201 120.747 120.570 -0.041 0.000 3.239 2741 I HA 0.582 4.752 4.170 0.000 0.000 0.314 2741 I C -1.709 174.336 176.117 -0.120 0.000 1.126 2741 I CA -1.020 60.249 61.300 -0.051 0.000 0.973 2741 I CB 2.374 40.355 38.000 -0.032 0.000 1.252 2741 I HN 0.214 nan 8.210 nan 0.000 0.463 2742 I N 2.787 123.300 120.570 -0.096 0.000 2.498 2742 I HA 0.367 4.537 4.170 0.000 0.000 0.290 2742 I C -0.676 175.423 176.117 -0.031 0.000 1.032 2742 I CA -1.109 60.123 61.300 -0.114 0.000 1.073 2742 I CB 2.144 40.057 38.000 -0.145 0.000 1.251 2742 I HN 0.378 nan 8.210 nan 0.000 0.426 2743 V N 8.506 128.423 119.914 0.005 0.000 2.276 2743 V HA 0.151 4.271 4.120 0.000 0.000 0.249 2743 V C 1.336 177.421 176.094 -0.014 0.000 1.160 2743 V CA 0.012 62.286 62.300 -0.043 0.000 1.042 2743 V CB 0.338 32.146 31.823 -0.025 0.000 1.224 2743 V HN 0.807 nan 8.190 nan 0.000 0.496 2744 Q N 2.862 122.633 119.800 -0.049 0.000 1.857 2744 Q HA -0.094 4.246 4.340 0.000 0.000 0.237 2744 Q C 0.514 176.428 176.000 -0.144 0.000 1.004 2744 Q CA 1.427 57.195 55.803 -0.058 0.000 0.881 2744 Q CB 0.248 28.902 28.738 -0.140 0.000 0.946 2744 Q HN 0.501 nan 8.270 nan 0.000 0.421 2745 R N -0.454 119.873 120.500 -0.288 0.000 2.514 2745 R HA 0.473 4.813 4.340 0.000 0.000 0.301 2745 R C -1.146 174.755 176.300 -0.664 0.000 0.962 2745 R CA -0.405 55.452 56.100 -0.404 0.000 0.882 2745 R CB 1.966 32.028 30.300 -0.398 0.000 1.143 2745 R HN 0.077 nan 8.270 nan 0.000 0.452 2746 V N 3.710 123.309 119.914 -0.525 0.000 2.732 2746 V HA 0.561 4.681 4.120 0.000 0.000 0.310 2746 V C -0.830 175.018 176.094 -0.409 0.000 1.053 2746 V CA -0.471 61.486 62.300 -0.572 0.000 0.957 2746 V CB 1.340 33.001 31.823 -0.271 0.000 1.018 2746 V HN 0.669 nan 8.190 nan 0.000 0.452 2747 Y N 3.938 124.225 120.300 -0.021 0.000 2.730 2747 Y HA 0.594 5.144 4.550 0.000 0.000 0.325 2747 Y C -2.030 174.155 175.900 0.474 0.000 1.132 2747 Y CA -2.526 55.679 58.100 0.176 0.000 1.206 2747 Y CB 2.007 40.473 38.460 0.010 0.000 1.390 2747 Y HN 0.424 nan 8.280 nan 0.000 0.555 2748 P HA 0.188 nan 4.420 nan 0.000 0.286 2748 P C -0.533 177.032 177.300 0.442 0.000 1.261 2748 P CA -0.238 63.133 63.100 0.453 0.000 0.821 2748 P CB 1.670 33.592 31.700 0.371 0.000 1.013 2749 L N 1.756 123.102 121.223 0.204 0.000 2.371 2749 L HA 0.024 4.364 4.340 0.000 0.000 0.234 2749 L C 0.673 177.547 176.870 0.008 0.000 1.230 2749 L CA 0.589 55.430 54.840 0.002 0.000 0.825 2749 L CB 0.127 41.966 42.059 -0.367 0.000 1.157 2749 L HN 0.436 nan 8.230 nan 0.000 0.565 2750 Q N 0.111 119.746 119.800 -0.275 0.000 2.426 2750 Q HA 0.281 4.621 4.340 0.000 0.000 0.278 2750 Q C -1.826 174.002 176.000 -0.287 0.000 1.007 2750 Q CA -0.430 55.330 55.803 -0.071 0.000 0.850 2750 Q CB 2.070 30.869 28.738 0.102 0.000 1.427 2750 Q HN 0.550 nan 8.270 nan 0.000 0.391 2751 W N 1.862 123.133 121.300 -0.048 0.000 2.656 2751 W HA 0.594 5.254 4.660 0.000 0.000 0.327 2751 W C -0.690 175.723 176.519 -0.177 0.000 1.041 2751 W CA -0.609 56.697 57.345 -0.067 0.000 1.229 2751 W CB 2.108 31.543 29.460 -0.042 0.000 1.397 2751 W HN 0.237 nan 8.180 nan 0.000 0.479 2752 V N 2.318 122.237 119.914 0.009 0.000 2.487 2752 V HA 0.280 4.400 4.120 0.000 0.000 0.298 2752 V C -0.249 175.832 176.094 -0.022 0.000 1.028 2752 V CA -0.900 61.320 62.300 -0.133 0.000 0.860 2752 V CB 1.960 33.680 31.823 -0.172 0.000 0.991 2752 V HN 0.468 nan 8.190 nan 0.000 0.427 2753 E N 3.078 123.237 120.200 -0.068 0.000 2.179 2753 E HA 0.426 4.776 4.350 0.000 0.000 0.275 2753 E C -0.765 175.696 176.600 -0.232 0.000 0.945 2753 E CA -0.816 55.522 56.400 -0.104 0.000 0.792 2753 E CB 1.414 31.056 29.700 -0.096 0.000 1.125 2753 E HN 0.537 nan 8.360 nan 0.000 0.397 2754 K N 2.974 123.195 120.400 -0.297 0.000 2.244 2754 K HA 0.117 4.437 4.320 0.000 0.000 0.263 2754 K C -0.294 176.115 176.600 -0.318 0.000 1.103 2754 K CA -0.290 55.680 56.287 -0.528 0.000 0.966 2754 K CB 0.535 32.782 32.500 -0.421 0.000 1.429 2754 K HN 0.528 nan 8.250 nan 0.000 0.434 2755 T N -0.952 113.435 114.554 -0.279 0.000 2.934 2755 T HA -0.042 4.308 4.350 0.000 0.000 0.306 2755 T C 1.894 176.509 174.700 -0.141 0.000 1.042 2755 T CA -0.374 61.630 62.100 -0.159 0.000 1.145 2755 T CB 0.732 69.534 68.868 -0.109 0.000 0.982 2755 T HN 0.341 nan 8.240 nan 0.000 0.544 2756 V N 1.558 121.416 119.914 -0.093 0.000 2.285 2756 V HA -0.323 3.797 4.120 0.000 0.000 0.260 2756 V C 2.463 178.517 176.094 -0.067 0.000 1.089 2756 V CA 2.622 64.880 62.300 -0.069 0.000 1.082 2756 V CB -2.186 29.614 31.823 -0.038 0.000 0.681 2756 V HN 1.126 nan 8.190 nan 0.000 0.452 2757 S N -0.080 115.585 115.700 -0.058 0.000 2.507 2757 S HA 0.320 4.790 4.470 0.000 0.000 0.235 2757 S C 1.727 176.297 174.600 -0.049 0.000 0.988 2757 S CA 1.472 59.647 58.200 -0.042 0.000 0.944 2757 S CB 0.095 63.279 63.200 -0.026 0.000 0.762 2757 S HN 1.937 nan 8.310 nan 0.000 0.526 2758 G N 1.266 110.005 108.800 -0.100 0.000 2.981 2758 G HA2 -0.173 3.787 3.960 0.000 0.000 0.199 2758 G HA3 -0.173 3.787 3.960 0.000 0.000 0.199 2758 G C -0.025 174.740 174.900 -0.225 0.000 1.586 2758 G CA -0.383 44.650 45.100 -0.112 0.000 1.162 2758 G HN 0.444 nan 8.290 nan 0.000 0.538 2759 L N 1.117 122.282 121.223 -0.097 0.000 2.715 2759 L HA 0.081 4.421 4.340 0.000 0.000 0.317 2759 L C 0.372 177.093 176.870 -0.249 0.000 1.263 2759 L CA 0.518 55.334 54.840 -0.040 0.000 0.860 2759 L CB -0.020 42.045 42.059 0.009 0.000 1.103 2759 L HN 0.400 nan 8.230 nan 0.000 0.522 2760 Y N 2.387 122.710 120.300 0.039 0.000 2.446 2760 Y HA 0.603 5.153 4.550 0.000 0.000 0.338 2760 Y C 0.232 176.150 175.900 0.030 0.000 1.055 2760 Y CA -0.586 57.526 58.100 0.020 0.000 1.101 2760 Y CB 1.558 40.051 38.460 0.054 0.000 1.221 2760 Y HN 0.265 nan 8.280 nan 0.000 0.460 2761 I N 3.267 123.878 120.570 0.069 0.000 2.468 2761 I HA 0.243 4.413 4.170 0.000 0.000 0.285 2761 I C -1.234 174.830 176.117 -0.089 0.000 1.039 2761 I CA -0.483 60.847 61.300 0.049 0.000 1.074 2761 I CB 1.034 39.047 38.000 0.023 0.000 1.228 2761 I HN 0.416 nan 8.210 nan 0.000 0.436 2762 F N 5.985 125.897 119.950 -0.063 0.000 2.396 2762 F HA 0.510 5.038 4.527 0.000 0.000 0.343 2762 F C 0.558 176.134 175.800 -0.374 0.000 1.104 2762 F CA -0.087 57.765 58.000 -0.247 0.000 1.161 2762 F CB 0.797 39.518 39.000 -0.465 0.000 1.146 2762 F HN 0.236 nan 8.300 nan 0.000 0.522 2763 R N 1.925 122.398 120.500 -0.044 0.000 2.574 2763 R HA 0.277 4.617 4.340 0.000 0.000 0.288 2763 R C -0.433 176.027 176.300 0.267 0.000 1.004 2763 R CA -0.765 55.412 56.100 0.129 0.000 0.895 2763 R CB 2.033 32.416 30.300 0.138 0.000 1.191 2763 R HN 0.714 nan 8.270 nan 0.000 0.444 2764 S N 0.524 116.412 115.700 0.313 0.000 2.598 2764 S HA -0.037 4.433 4.470 0.000 0.000 0.256 2764 S C 1.234 175.985 174.600 0.252 0.000 1.350 2764 S CA 0.138 58.512 58.200 0.290 0.000 0.984 2764 S CB 0.934 64.271 63.200 0.228 0.000 0.930 2764 S HN 0.703 nan 8.310 nan 0.000 0.577 2765 E N 0.595 120.948 120.200 0.255 0.000 2.016 2765 E HA -0.091 4.259 4.350 0.000 0.000 0.190 2765 E C 1.711 178.184 176.600 -0.211 0.000 0.985 2765 E CA 0.631 56.963 56.400 -0.114 0.000 0.802 2765 E CB -0.150 29.615 29.700 0.108 0.000 0.762 2765 E HN 0.639 nan 8.360 nan 0.000 0.448 2766 R N 0.839 121.315 120.500 -0.040 0.000 2.526 2766 R HA -0.035 4.305 4.340 0.000 0.000 0.223 2766 R C 1.037 177.324 176.300 -0.022 0.000 1.250 2766 R CA 0.685 56.764 56.100 -0.036 0.000 1.227 2766 R CB -0.191 30.123 30.300 0.023 0.000 1.109 2766 R HN 0.250 nan 8.270 nan 0.000 0.499 2767 E N -0.814 119.363 120.200 -0.039 0.000 2.665 2767 E HA -0.037 4.313 4.350 0.000 0.000 0.225 2767 E C -0.332 176.245 176.600 -0.039 0.000 0.922 2767 E CA 0.083 56.486 56.400 0.006 0.000 1.242 2767 E CB 0.437 30.192 29.700 0.093 0.000 1.197 2767 E HN 0.236 nan 8.360 nan 0.000 0.581 2768 E N 0.757 120.859 120.200 -0.165 0.000 3.385 2768 E HA 0.150 4.500 4.350 0.000 0.000 0.206 2768 E C 0.247 176.642 176.600 -0.342 0.000 0.997 2768 E CA -0.034 56.222 56.400 -0.239 0.000 1.278 2768 E CB 0.465 29.954 29.700 -0.351 0.000 1.165 2768 E HN 0.249 nan 8.360 nan 0.000 0.452 2769 E N -0.206 119.863 120.200 -0.217 0.000 2.475 2769 E HA 0.156 4.506 4.350 0.000 0.000 0.205 2769 E C 1.400 177.939 176.600 -0.102 0.000 0.822 2769 E CA -0.028 56.258 56.400 -0.190 0.000 1.240 2769 E CB 0.199 29.797 29.700 -0.170 0.000 1.222 2769 E HN 0.126 nan 8.360 nan 0.000 0.581 2770 K N 1.192 121.548 120.400 -0.073 0.000 1.963 2770 K HA -0.232 4.088 4.320 0.000 0.000 0.216 2770 K C 2.051 178.639 176.600 -0.021 0.000 1.045 2770 K CA 1.960 58.227 56.287 -0.034 0.000 0.954 2770 K CB -0.137 32.352 32.500 -0.018 0.000 0.732 2770 K HN -0.083 nan 8.250 nan 0.000 0.442 2771 E N 0.669 120.858 120.200 -0.018 0.000 2.130 2771 E HA -0.200 4.150 4.350 0.000 0.000 0.196 2771 E C 1.527 178.128 176.600 0.000 0.000 0.998 2771 E CA 1.658 58.059 56.400 0.003 0.000 0.806 2771 E CB -0.351 29.346 29.700 -0.005 0.000 0.738 2771 E HN 0.427 nan 8.360 nan 0.000 0.459 2772 A N 1.318 124.105 122.820 -0.055 0.000 1.859 2772 A HA -0.249 4.071 4.320 0.000 0.000 0.218 2772 A C 2.423 180.019 177.584 0.021 0.000 1.209 2772 A CA 2.069 54.066 52.037 -0.066 0.000 0.639 2772 A CB -1.296 17.625 19.000 -0.132 0.000 0.835 2772 A HN 0.510 nan 8.150 nan 0.000 0.450 2773 L N -1.068 120.159 121.223 0.006 0.000 2.083 2773 L HA -0.186 4.154 4.340 0.000 0.000 0.209 2773 L C 2.607 179.510 176.870 0.055 0.000 1.083 2773 L CA 2.085 56.942 54.840 0.028 0.000 0.752 2773 L CB -0.412 41.646 42.059 -0.000 0.000 0.899 2773 L HN 0.490 nan 8.230 nan 0.000 0.433 2774 R N -0.406 120.127 120.500 0.055 0.000 2.113 2774 R HA -0.292 4.048 4.340 0.000 0.000 0.244 2774 R C 2.257 178.615 176.300 0.096 0.000 1.142 2774 R CA 2.551 58.686 56.100 0.059 0.000 0.953 2774 R CB -0.810 29.526 30.300 0.060 0.000 0.860 2774 R HN 0.489 nan 8.270 nan 0.000 0.438 2775 F N 0.876 120.808 119.950 -0.030 0.000 2.046 2775 F HA -0.211 4.316 4.527 0.000 0.000 0.297 2775 F C 2.379 178.160 175.800 -0.030 0.000 1.123 2775 F CA 1.765 59.748 58.000 -0.029 0.000 1.199 2775 F CB -0.817 38.165 39.000 -0.030 0.000 0.972 2775 F HN 0.160 nan 8.300 nan 0.000 0.474 2776 A N 0.181 123.100 122.820 0.165 0.000 1.896 2776 A HA -0.336 3.984 4.320 0.000 0.000 0.220 2776 A C 2.134 179.675 177.584 -0.072 0.000 1.206 2776 A CA 2.387 54.443 52.037 0.031 0.000 0.647 2776 A CB -1.262 17.773 19.000 0.060 0.000 0.828 2776 A HN 0.608 nan 8.150 nan 0.000 0.455 2777 E N -0.843 119.329 120.200 -0.048 0.000 2.097 2777 E HA -0.168 4.182 4.350 0.000 0.000 0.196 2777 E C 2.255 178.790 176.600 -0.108 0.000 1.000 2777 E CA 1.154 57.518 56.400 -0.061 0.000 0.804 2777 E CB -0.271 29.407 29.700 -0.036 0.000 0.740 2777 E HN 0.671 nan 8.360 nan 0.000 0.454 2778 A N 0.647 123.371 122.820 -0.159 0.000 1.975 2778 A HA -0.114 4.206 4.320 0.000 0.000 0.215 2778 A C 2.065 179.472 177.584 -0.294 0.000 1.170 2778 A CA 0.532 52.447 52.037 -0.205 0.000 0.656 2778 A CB -0.067 18.812 19.000 -0.202 0.000 0.821 2778 A HN 0.060 nan 8.150 nan 0.000 0.449 2779 Q N -0.342 119.202 119.800 -0.427 0.000 2.096 2779 Q HA -0.220 4.120 4.340 0.000 0.000 0.204 2779 Q C 2.206 178.056 176.000 -0.250 0.000 0.982 2779 Q CA 1.631 57.176 55.803 -0.430 0.000 0.850 2779 Q CB -0.347 28.145 28.738 -0.411 0.000 0.901 2779 Q HN 0.705 nan 8.270 nan 0.000 0.422 2780 Q N 0.316 120.001 119.800 -0.192 0.000 2.050 2780 Q HA -0.136 4.205 4.340 0.000 0.000 0.202 2780 Q C 1.842 177.751 176.000 -0.153 0.000 0.980 2780 Q CA 1.098 56.816 55.803 -0.141 0.000 0.840 2780 Q CB 0.067 28.749 28.738 -0.093 0.000 0.898 2780 Q HN 0.182 nan 8.270 nan 0.000 0.424 2781 K N 0.779 121.093 120.400 -0.142 0.000 2.211 2781 K HA -0.171 4.149 4.320 0.000 0.000 0.204 2781 K C 1.966 178.477 176.600 -0.149 0.000 1.047 2781 K CA 0.959 57.172 56.287 -0.122 0.000 0.935 2781 K CB -0.091 32.347 32.500 -0.104 0.000 0.728 2781 K HN 0.153 nan 8.250 nan 0.000 0.452 2782 K N 0.883 121.174 120.400 -0.182 0.000 1.991 2782 K HA -0.117 4.203 4.320 0.000 0.000 0.207 2782 K C 2.174 178.629 176.600 -0.242 0.000 1.045 2782 K CA 0.797 56.974 56.287 -0.184 0.000 0.937 2782 K CB -0.252 32.138 32.500 -0.184 0.000 0.720 2782 K HN -0.026 nan 8.250 nan 0.000 0.438 2783 L N 1.942 122.976 121.223 -0.315 0.000 2.012 2783 L HA -0.184 4.156 4.340 0.000 0.000 0.210 2783 L C 1.956 178.306 176.870 -0.865 0.000 1.073 2783 L CA 1.858 56.370 54.840 -0.548 0.000 0.748 2783 L CB -0.535 41.207 42.059 -0.528 0.000 0.891 2783 L HN 0.299 nan 8.230 nan 0.000 0.431 2784 E N -0.029 119.840 120.200 -0.552 0.000 2.086 2784 E HA -0.343 4.007 4.350 0.000 0.000 0.205 2784 E C 2.023 178.513 176.600 -0.183 0.000 1.027 2784 E CA 1.837 58.065 56.400 -0.288 0.000 0.830 2784 E CB -0.460 29.200 29.700 -0.068 0.000 0.751 2784 E HN 0.711 nan 8.360 nan 0.000 0.456 2785 A N 0.816 123.535 122.820 -0.168 0.000 2.067 2785 A HA -0.030 4.290 4.320 0.000 0.000 0.217 2785 A C 2.172 179.709 177.584 -0.078 0.000 1.156 2785 A CA 0.394 52.387 52.037 -0.073 0.000 0.683 2785 A CB -0.337 18.623 19.000 -0.067 0.000 0.808 2785 A HN 0.153 nan 8.150 nan 0.000 0.455 2786 L N -0.602 120.500 121.223 -0.202 0.000 2.027 2786 L HA -0.147 4.193 4.340 0.000 0.000 0.206 2786 L C 2.397 179.288 176.870 0.035 0.000 1.074 2786 L CA 1.827 56.596 54.840 -0.118 0.000 0.745 2786 L CB -0.426 41.528 42.059 -0.175 0.000 0.898 2786 L HN 0.643 nan 8.230 nan 0.000 0.433 2787 F N -2.479 117.495 119.950 0.041 0.000 2.558 2787 F HA 0.022 4.549 4.527 0.000 0.000 0.298 2787 F C 2.012 177.871 175.800 0.098 0.000 1.119 2787 F CA 0.259 58.319 58.000 0.100 0.000 1.451 2787 F CB -2.037 36.981 39.000 0.031 0.000 1.091 2787 F HN -0.189 nan 8.300 nan 0.000 0.563 2788 T N 0.715 115.473 114.554 0.339 0.000 3.400 2788 T HA -0.024 4.326 4.350 0.000 0.000 0.254 2788 T C 1.638 176.422 174.700 0.139 0.000 1.153 2788 T CA 0.570 62.791 62.100 0.201 0.000 1.012 2788 T CB -0.192 68.756 68.868 0.134 0.000 0.994 2788 T HN 0.217 nan 8.240 nan 0.000 0.555 2789 K N 0.433 120.927 120.400 0.156 0.000 2.537 2789 K HA 0.230 4.550 4.320 0.000 0.000 0.216 2789 K C 1.660 178.323 176.600 0.105 0.000 1.349 2789 K CA 0.266 56.610 56.287 0.096 0.000 0.841 2789 K CB -0.457 32.080 32.500 0.062 0.000 1.659 2789 K HN 0.045 nan 8.250 nan 0.000 0.435 2790 V N 2.157 122.159 119.914 0.146 0.000 3.284 2790 V HA -0.154 3.966 4.120 0.000 0.000 0.273 2790 V C 0.701 176.749 176.094 -0.077 0.000 1.178 2790 V CA 1.863 64.199 62.300 0.060 0.000 1.177 2790 V CB -0.864 31.027 31.823 0.113 0.000 0.793 2790 V HN 0.353 nan 8.190 nan 0.000 0.536 2791 H N -2.399 116.708 119.070 0.062 0.000 3.794 2791 H HA 0.289 4.845 4.556 0.000 0.000 0.258 2791 H C 0.681 176.014 175.328 0.009 0.000 1.120 2791 H CA 0.771 56.833 56.048 0.023 0.000 1.166 2791 H CB 1.127 30.882 29.762 -0.010 0.000 1.517 2791 H HN 0.426 nan 8.280 nan 0.000 0.615 2883 S N 2.486 118.255 115.700 0.115 0.000 2.840 2883 S HA 0.677 5.147 4.470 0.000 0.000 0.307 2883 S C -1.393 173.164 174.600 -0.071 0.000 1.180 2883 S CA -0.739 57.514 58.200 0.089 0.000 0.846 2883 S CB 2.111 65.331 63.200 0.034 0.000 1.233 2883 S HN 0.730 nan 8.310 nan 0.000 0.548 2884 R N 1.098 121.451 120.500 -0.245 0.000 2.338 2884 R HA 0.375 4.715 4.340 0.000 0.000 0.317 2884 R C -1.475 174.722 176.300 -0.172 0.000 0.968 2884 R CA -0.464 55.447 56.100 -0.315 0.000 0.849 2884 R CB 1.021 30.972 30.300 -0.581 0.000 1.128 2884 R HN 0.472 nan 8.270 nan 0.000 0.448 2885 D N 3.614 123.932 120.400 -0.137 0.000 2.558 2885 D HA 0.129 4.769 4.640 0.000 0.000 0.221 2885 D C -1.146 175.106 176.300 -0.080 0.000 1.143 2885 D CA 0.107 54.049 54.000 -0.097 0.000 1.010 2885 D CB 0.483 41.219 40.800 -0.106 0.000 1.068 2885 D HN 0.070 nan 8.370 nan 0.000 0.511 2886 V N 1.942 121.829 119.914 -0.045 0.000 2.495 2886 V HA 0.516 4.637 4.120 0.000 0.000 0.298 2886 V C 0.278 176.421 176.094 0.081 0.000 1.031 2886 V CA -0.398 61.914 62.300 0.020 0.000 0.871 2886 V CB 2.026 33.865 31.823 0.027 0.000 0.988 2886 V HN 0.431 nan 8.190 nan 0.000 0.432 2887 T N 2.784 117.403 114.554 0.108 0.000 2.896 2887 T HA 0.531 4.881 4.350 0.000 0.000 0.297 2887 T C -0.537 174.210 174.700 0.078 0.000 1.108 2887 T CA -0.286 61.885 62.100 0.118 0.000 1.004 2887 T CB 1.996 70.931 68.868 0.111 0.000 1.159 2887 T HN 0.751 nan 8.240 nan 0.000 0.499 2888 T N 1.623 116.164 114.554 -0.022 0.000 2.907 2888 T HA 0.711 5.061 4.350 0.000 0.000 0.284 2888 T C -0.948 173.685 174.700 -0.113 0.000 1.004 2888 T CA -0.345 61.565 62.100 -0.318 0.000 1.063 2888 T CB 0.347 68.941 68.868 -0.457 0.000 0.992 2888 T HN 0.748 nan 8.240 nan 0.000 0.483 2889 V N 2.714 122.464 119.914 -0.273 0.000 2.969 2889 V HA 0.620 4.740 4.120 0.000 0.000 0.304 2889 V C -1.546 174.504 176.094 -0.073 0.000 1.192 2889 V CA -1.277 60.856 62.300 -0.278 0.000 0.962 2889 V CB 1.829 33.247 31.823 -0.675 0.000 1.045 2889 V HN 0.949 nan 8.190 nan 0.000 0.428 2890 W N 3.265 124.418 121.300 -0.245 0.000 2.471 2890 W HA 0.733 5.393 4.660 0.000 0.000 0.318 2890 W C -0.490 175.955 176.519 -0.122 0.000 1.034 2890 W CA -1.346 55.921 57.345 -0.129 0.000 1.224 2890 W CB 1.741 31.124 29.460 -0.128 0.000 1.335 2890 W HN 0.600 nan 8.180 nan 0.000 0.452 2891 K N 5.752 126.148 120.400 -0.007 0.000 2.221 2891 K HA 0.683 5.003 4.320 0.000 0.000 0.258 2891 K C -1.209 175.116 176.600 -0.459 0.000 0.944 2891 K CA -0.776 55.385 56.287 -0.209 0.000 0.823 2891 K CB 1.662 34.116 32.500 -0.075 0.000 1.113 2891 K HN 0.301 nan 8.250 nan 0.000 0.431 2892 L N -0.107 120.775 121.223 -0.568 0.000 2.376 2892 L HA 0.588 4.928 4.340 0.000 0.000 0.258 2892 L C -0.582 175.988 176.870 -0.500 0.000 1.013 2892 L CA -0.968 53.434 54.840 -0.730 0.000 0.822 2892 L CB 1.297 42.851 42.059 -0.842 0.000 1.388 2892 L HN 0.413 nan 8.230 nan 0.000 0.413 2893 R N 1.028 121.211 120.500 -0.528 0.000 2.198 2893 R HA 0.769 5.109 4.340 0.000 0.000 0.339 2893 R C -0.933 175.215 176.300 -0.253 0.000 1.020 2893 R CA -0.457 55.443 56.100 -0.332 0.000 0.864 2893 R CB 0.861 30.971 30.300 -0.317 0.000 1.105 2893 R HN 0.739 nan 8.270 nan 0.000 0.463 2894 V N 0.433 120.234 119.914 -0.188 0.000 2.960 2894 V HA 0.784 4.904 4.120 0.000 0.000 0.315 2894 V C -0.362 175.675 176.094 -0.094 0.000 1.087 2894 V CA -0.806 61.413 62.300 -0.134 0.000 0.982 2894 V CB 1.999 33.744 31.823 -0.130 0.000 1.039 2894 V HN 0.836 nan 8.190 nan 0.000 0.437 2895 T N -1.237 113.280 114.554 -0.062 0.000 2.933 2895 T HA 0.549 4.900 4.350 0.000 0.000 0.305 2895 T C -0.225 174.470 174.700 -0.008 0.000 1.092 2895 T CA -0.515 61.563 62.100 -0.036 0.000 1.008 2895 T CB 1.320 70.174 68.868 -0.023 0.000 1.102 2895 T HN 0.861 nan 8.240 nan 0.000 0.469 2896 S N 1.867 117.567 115.700 0.000 0.000 2.558 2896 S HA 0.120 4.590 4.470 0.000 0.000 0.291 2896 S C 0.503 175.166 174.600 0.105 0.000 1.306 2896 S CA -0.665 57.554 58.200 0.030 0.000 1.056 2896 S CB -0.076 63.128 63.200 0.007 0.000 0.836 2896 S HN 0.667 nan 8.310 nan 0.000 0.504 2897 Y N 3.027 123.304 120.300 -0.038 0.000 2.240 2897 Y HA -0.130 4.420 4.550 0.000 0.000 0.166 2897 Y C 1.024 176.905 175.900 -0.032 0.000 0.703 2897 Y CA 0.575 58.653 58.100 -0.036 0.000 0.693 2897 Y CB -0.072 38.365 38.460 -0.038 0.000 0.841 2897 Y HN 0.476 nan 8.280 nan 0.000 0.721 2898 K N 2.910 123.242 120.400 -0.113 0.000 2.366 2898 K HA -0.040 4.280 4.320 0.000 0.000 0.279 2898 K C -0.776 175.776 176.600 -0.079 0.000 1.098 2898 K CA 0.843 56.999 56.287 -0.218 0.000 1.087 2898 K CB -0.193 32.029 32.500 -0.463 0.000 0.901 2898 K HN 0.371 nan 8.250 nan 0.000 0.463 2899 K N 1.020 121.405 120.400 -0.025 0.000 6.874 2899 K HA 0.041 4.361 4.320 0.000 0.000 0.873 2899 K C -1.591 175.004 176.600 -0.009 0.000 0.884 2899 K CA -0.987 55.286 56.287 -0.023 0.000 1.054 2899 K CB -0.128 32.353 32.500 -0.031 0.000 2.034 2899 K HN 0.198 nan 8.250 nan 0.000 1.020 2900 K N 0.865 121.254 120.400 -0.019 0.000 2.259 2900 K HA 0.505 4.825 4.320 0.000 0.000 0.252 2900 K C -1.235 175.348 176.600 -0.028 0.000 0.936 2900 K CA -0.690 55.583 56.287 -0.023 0.000 0.810 2900 K CB 1.820 34.304 32.500 -0.028 0.000 1.143 2900 K HN 0.636 nan 8.250 nan 0.000 0.427 2901 E N -0.110 120.071 120.200 -0.033 0.000 2.442 2901 E HA 0.087 4.437 4.350 0.000 0.000 0.278 2901 E C -1.014 175.558 176.600 -0.046 0.000 1.082 2901 E CA -1.093 55.284 56.400 -0.039 0.000 0.861 2901 E CB 0.117 29.795 29.700 -0.037 0.000 1.462 2901 E HN 0.417 nan 8.360 nan 0.000 0.458 2902 K N 0.669 121.040 120.400 -0.048 0.000 2.630 2902 K HA 0.253 4.573 4.320 0.000 0.000 0.204 2902 K C -0.675 175.889 176.600 -0.060 0.000 1.024 2902 K CA 0.113 56.369 56.287 -0.052 0.000 1.157 2902 K CB -0.788 31.685 32.500 -0.045 0.000 0.899 2902 K HN 0.556 nan 8.250 nan 0.000 0.501 2903 S N -0.977 114.685 115.700 -0.063 0.000 3.535 2903 S HA -0.117 4.353 4.470 0.000 0.000 0.851 2903 S C -0.242 174.312 174.600 -0.077 0.000 1.248 2903 S CA -0.025 58.130 58.200 -0.075 0.000 0.856 2903 S CB -0.736 62.412 63.200 -0.088 0.000 0.517 2903 S HN 0.776 nan 8.310 nan 0.000 0.312 2904 A N 1.119 123.886 122.820 -0.090 0.000 2.435 2904 A HA 0.793 5.114 4.320 0.000 0.000 0.304 2904 A C -1.029 176.488 177.584 -0.112 0.000 1.064 2904 A CA -0.714 51.270 52.037 -0.088 0.000 0.727 2904 A CB 1.265 20.216 19.000 -0.082 0.000 1.284 2904 A HN 1.062 nan 8.150 nan 0.000 0.415 2905 L N 2.208 123.370 121.223 -0.101 0.000 2.259 2905 L HA 0.532 4.872 4.340 0.000 0.000 0.288 2905 L C -0.629 176.166 176.870 -0.125 0.000 1.051 2905 L CA -0.471 54.295 54.840 -0.123 0.000 0.824 2905 L CB 0.646 42.643 42.059 -0.103 0.000 1.206 2905 L HN 0.675 nan 8.230 nan 0.000 0.429 2906 L N 4.442 125.564 121.223 -0.168 0.000 2.295 2906 L HA 0.709 5.049 4.340 0.000 0.000 0.285 2906 L C -0.439 176.318 176.870 -0.190 0.000 1.035 2906 L CA 0.253 55.003 54.840 -0.149 0.000 0.806 2906 L CB 1.725 43.693 42.059 -0.152 0.000 1.214 2906 L HN 0.645 nan 8.230 nan 0.000 0.426 2907 S N 5.990 121.605 115.700 -0.143 0.000 2.596 2907 S HA 0.618 5.088 4.470 0.000 0.000 0.318 2907 S C -0.367 174.136 174.600 -0.162 0.000 1.097 2907 S CA -0.493 57.586 58.200 -0.202 0.000 1.080 2907 S CB 0.651 63.694 63.200 -0.261 0.000 0.991 2907 S HN 0.552 nan 8.310 nan 0.000 0.471 2908 I N 2.968 123.471 120.570 -0.112 0.000 2.297 2908 I HA 0.309 4.479 4.170 0.000 0.000 0.291 2908 I C -0.301 175.823 176.117 0.012 0.000 1.033 2908 I CA -0.526 60.798 61.300 0.039 0.000 1.253 2908 I CB 0.411 38.491 38.000 0.132 0.000 1.396 2908 I HN 0.641 nan 8.210 nan 0.000 0.476 2909 W N 4.696 126.042 121.300 0.078 0.000 1.833 2909 W HA 0.342 5.002 4.660 0.000 0.000 0.390 2909 W C 1.002 177.539 176.519 0.030 0.000 1.680 2909 W CA -0.404 56.970 57.345 0.048 0.000 1.828 2909 W CB 0.071 29.550 29.460 0.031 0.000 1.357 2909 W HN 0.395 nan 8.180 nan 0.000 0.720 2910 R N 0.099 120.784 120.500 0.309 0.000 3.121 2910 R HA -0.247 4.093 4.340 0.000 0.000 0.233 2910 R C -2.246 174.104 176.300 0.084 0.000 0.884 2910 R CA -0.231 55.954 56.100 0.141 0.000 0.600 2910 R CB -2.084 28.290 30.300 0.123 0.000 1.023 2910 R HN 0.160 nan 8.270 nan 0.000 0.482 2911 P HA -0.136 nan 4.420 nan 0.000 0.282 2911 P C -0.192 177.091 177.300 -0.029 0.000 1.522 2911 P CA 0.302 63.405 63.100 0.005 0.000 1.163 2911 P CB 0.339 31.980 31.700 -0.099 0.000 1.149 2912 S N -2.428 113.219 115.700 -0.087 0.000 2.605 2912 S HA 0.285 4.755 4.470 0.000 0.000 0.279 2912 S C 0.835 175.374 174.600 -0.101 0.000 1.166 2912 S CA -0.083 58.077 58.200 -0.067 0.000 0.975 2912 S CB 0.022 63.211 63.200 -0.017 0.000 1.111 2912 S HN 0.363 nan 8.310 nan 0.000 0.465 2913 S N 3.587 119.238 115.700 -0.082 0.000 2.557 2913 S HA -0.294 4.176 4.470 0.000 0.000 0.344 2913 S C 1.232 175.777 174.600 -0.092 0.000 1.291 2913 S CA 2.500 60.654 58.200 -0.077 0.000 1.306 2913 S CB -0.782 62.395 63.200 -0.037 0.000 1.335 2913 S HN 0.898 nan 8.310 nan 0.000 0.466 2914 D N 0.833 121.194 120.400 -0.065 0.000 2.162 2914 D HA 0.074 4.714 4.640 0.000 0.000 0.203 2914 D C 1.975 178.232 176.300 -0.071 0.000 0.967 2914 D CA 0.527 54.494 54.000 -0.054 0.000 0.840 2914 D CB -0.362 40.423 40.800 -0.025 0.000 0.972 2914 D HN 0.310 nan 8.370 nan 0.000 0.482 2915 L N 1.330 122.505 121.223 -0.080 0.000 2.283 2915 L HA -0.247 4.093 4.340 0.000 0.000 0.217 2915 L C 2.101 178.922 176.870 -0.081 0.000 1.104 2915 L CA 0.934 55.731 54.840 -0.072 0.000 0.772 2915 L CB -0.086 41.934 42.059 -0.064 0.000 0.899 2915 L HN -0.080 nan 8.230 nan 0.000 0.439 2916 S N -0.679 114.863 115.700 -0.263 0.000 2.382 2916 S HA -0.148 4.322 4.470 0.000 0.000 0.228 2916 S C 1.671 176.247 174.600 -0.039 0.000 1.027 2916 S CA 1.459 59.408 58.200 -0.418 0.000 0.991 2916 S CB -0.247 62.701 63.200 -0.420 0.000 0.823 2916 S HN 0.758 nan 8.310 nan 0.000 0.469 2917 S N 0.250 115.931 115.700 -0.031 0.000 2.660 2917 S HA 0.371 4.841 4.470 0.000 0.000 0.227 2917 S C 1.046 175.668 174.600 0.037 0.000 0.948 2917 S CA -0.212 58.000 58.200 0.019 0.000 0.948 2917 S CB -0.203 62.998 63.200 0.000 0.000 0.779 2917 S HN 0.328 nan 8.310 nan 0.000 0.487 2918 L N -0.199 121.051 121.223 0.044 0.000 2.541 2918 L HA 0.426 4.766 4.340 0.000 0.000 0.187 2918 L C 0.363 177.262 176.870 0.048 0.000 1.098 2918 L CA 0.156 55.017 54.840 0.034 0.000 0.846 2918 L CB -0.146 41.904 42.059 -0.014 0.000 1.151 2918 L HN 0.285 nan 8.230 nan 0.000 0.492 2919 L N 1.740 122.943 121.223 -0.033 0.000 2.278 2919 L HA 0.266 4.606 4.340 0.000 0.000 0.287 2919 L C 0.306 177.166 176.870 -0.017 0.000 1.072 2919 L CA 0.009 54.717 54.840 -0.221 0.000 0.819 2919 L CB 0.647 42.363 42.059 -0.570 0.000 1.176 2919 L HN 0.290 nan 8.230 nan 0.000 0.435 2920 T N -0.284 114.321 114.554 0.085 0.000 2.807 2920 T HA 0.421 4.771 4.350 0.000 0.000 0.277 2920 T C -0.214 174.503 174.700 0.028 0.000 1.006 2920 T CA -0.966 61.172 62.100 0.064 0.000 1.006 2920 T CB 1.814 70.726 68.868 0.074 0.000 1.274 2920 T HN 0.519 nan 8.240 nan 0.000 0.569 2921 E N -0.040 120.168 120.200 0.013 0.000 2.259 2921 E HA 0.462 4.812 4.350 0.000 0.000 0.281 2921 E C 0.749 177.363 176.600 0.023 0.000 1.027 2921 E CA -0.019 56.398 56.400 0.029 0.000 0.838 2921 E CB 0.901 30.621 29.700 0.034 0.000 1.066 2921 E HN 1.171 nan 8.360 nan 0.000 0.401 2922 G N 2.543 111.348 108.800 0.009 0.000 2.149 2922 G HA2 -0.205 3.755 3.960 0.000 0.000 0.235 2922 G HA3 -0.205 3.755 3.960 0.000 0.000 0.235 2922 G C -0.092 174.531 174.900 -0.462 0.000 1.018 2922 G CA -0.032 44.697 45.100 -0.619 0.000 0.728 2922 G HN 0.267 nan 8.290 nan 0.000 0.508 2923 K N -0.677 119.569 120.400 -0.256 0.000 2.350 2923 K HA 0.670 4.990 4.320 0.000 0.000 0.241 2923 K C 0.082 176.403 176.600 -0.465 0.000 0.994 2923 K CA -1.114 54.965 56.287 -0.348 0.000 0.839 2923 K CB 1.559 33.887 32.500 -0.286 0.000 1.244 2923 K HN 0.257 nan 8.250 nan 0.000 0.443 2924 R N 1.184 121.271 120.500 -0.689 0.000 2.460 2924 R HA 0.448 4.789 4.340 0.000 0.000 0.303 2924 R C -1.143 174.648 176.300 -0.848 0.000 0.968 2924 R CA -0.401 55.305 56.100 -0.655 0.000 0.889 2924 R CB 0.766 30.700 30.300 -0.610 0.000 1.123 2924 R HN 0.537 nan 8.270 nan 0.000 0.455 2925 Y N 1.452 121.625 120.300 -0.212 0.000 2.534 2925 Y HA 0.400 4.950 4.550 0.000 0.000 0.345 2925 Y C -0.254 175.536 175.900 -0.183 0.000 1.031 2925 Y CA -0.891 57.113 58.100 -0.160 0.000 1.022 2925 Y CB 2.042 40.436 38.460 -0.111 0.000 1.292 2925 Y HN 0.375 nan 8.280 nan 0.000 0.459 2926 R N 2.932 123.381 120.500 -0.085 0.000 2.265 2926 R HA 0.564 4.904 4.340 0.000 0.000 0.328 2926 R C -1.456 174.558 176.300 -0.476 0.000 0.969 2926 R CA -0.552 55.373 56.100 -0.292 0.000 0.832 2926 R CB 0.588 30.669 30.300 -0.365 0.000 1.139 2926 R HN 0.502 nan 8.270 nan 0.000 0.457 2927 I N 5.573 125.919 120.570 -0.373 0.000 2.307 2927 I HA 0.189 4.359 4.170 0.000 0.000 0.289 2927 I C -0.622 175.265 176.117 -0.383 0.000 1.021 2927 I CA -0.865 60.216 61.300 -0.365 0.000 1.224 2927 I CB 0.479 38.375 38.000 -0.173 0.000 1.376 2927 I HN 0.470 nan 8.210 nan 0.000 0.470 2928 Y N 5.038 125.238 120.300 -0.167 0.000 2.327 2928 Y HA 0.372 4.922 4.550 0.000 0.000 0.336 2928 Y C 0.591 176.452 175.900 -0.065 0.000 1.035 2928 Y CA -0.515 57.486 58.100 -0.166 0.000 1.165 2928 Y CB 0.184 38.597 38.460 -0.078 0.000 1.181 2928 Y HN 0.467 nan 8.280 nan 0.000 0.494 2929 H N 3.130 122.216 119.070 0.027 0.000 3.521 2929 H HA -0.116 4.441 4.556 0.000 0.000 0.345 2929 H C -1.528 173.765 175.328 -0.058 0.000 1.019 2929 H CA 0.135 56.164 56.048 -0.032 0.000 1.066 2929 H CB -1.260 28.484 29.762 -0.031 0.000 1.513 2929 H HN 0.594 nan 8.280 nan 0.000 0.370 2930 L N 1.151 122.391 121.223 0.028 0.000 2.408 2930 L HA 0.707 5.047 4.340 0.000 0.000 0.268 2930 L C 0.636 177.512 176.870 0.010 0.000 0.986 2930 L CA -0.820 54.026 54.840 0.009 0.000 0.820 2930 L CB 2.170 44.212 42.059 -0.028 0.000 1.303 2930 L HN 0.586 nan 8.230 nan 0.000 0.411 2931 A N 2.779 125.615 122.820 0.027 0.000 2.340 2931 A HA 0.707 5.028 4.320 0.000 0.000 0.268 2931 A C -0.337 177.258 177.584 0.018 0.000 1.100 2931 A CA -0.317 51.735 52.037 0.024 0.000 0.803 2931 A CB 0.869 19.891 19.000 0.036 0.000 1.043 2931 A HN 0.421 nan 8.150 nan 0.000 0.488 2932 V N 1.870 121.792 119.914 0.013 0.000 2.604 2932 V HA 0.688 4.808 4.120 0.000 0.000 0.305 2932 V C 0.044 176.151 176.094 0.022 0.000 1.043 2932 V CA -0.305 62.001 62.300 0.010 0.000 0.888 2932 V CB 1.464 33.285 31.823 -0.002 0.000 0.995 2932 V HN 1.113 nan 8.190 nan 0.000 0.429 2933 S N 2.479 118.192 115.700 0.023 0.000 2.685 2933 S HA 0.633 5.103 4.470 0.000 0.000 0.282 2933 S C -0.642 173.971 174.600 0.021 0.000 1.159 2933 S CA -1.090 57.125 58.200 0.026 0.000 0.833 2933 S CB 1.831 65.050 63.200 0.032 0.000 1.151 2933 S HN 0.672 nan 8.310 nan 0.000 0.485 2934 K N 0.248 120.660 120.400 0.020 0.000 2.286 2934 K HA 0.223 4.543 4.320 0.000 0.000 0.256 2934 K C 1.281 177.884 176.600 0.005 0.000 0.999 2934 K CA 0.169 56.464 56.287 0.014 0.000 0.908 2934 K CB 0.501 33.008 32.500 0.012 0.000 0.981 2934 K HN 0.586 nan 8.250 nan 0.000 0.500 2935 S N 1.956 117.655 115.700 -0.002 0.000 2.348 2935 S HA -0.109 4.362 4.470 0.000 0.000 0.219 2935 S C -0.730 173.860 174.600 -0.017 0.000 1.033 2935 S CA 1.277 59.470 58.200 -0.012 0.000 0.974 2935 S CB -0.419 62.771 63.200 -0.016 0.000 0.868 2935 S HN 0.705 nan 8.310 nan 0.000 0.459 2936 K N 1.089 121.478 120.400 -0.019 0.000 5.275 2936 K HA -0.144 4.176 4.320 0.000 0.000 0.346 2936 K C -0.746 175.826 176.600 -0.046 0.000 0.796 2936 K CA 0.880 57.151 56.287 -0.027 0.000 1.003 2936 K CB -2.032 30.460 32.500 -0.014 0.000 1.951 2936 K HN 0.177 nan 8.250 nan 0.000 0.372 2937 S N 2.047 117.705 115.700 -0.069 0.000 2.288 2937 S HA 0.131 4.601 4.470 0.000 0.000 0.258 2937 S C 0.593 175.101 174.600 -0.153 0.000 0.919 2937 S CA -0.360 57.773 58.200 -0.112 0.000 1.010 2937 S CB 1.024 64.179 63.200 -0.076 0.000 1.231 2937 S HN 0.662 nan 8.310 nan 0.000 0.403 2938 K N 3.133 123.370 120.400 -0.271 0.000 2.206 2938 K HA -0.201 4.119 4.320 0.000 0.000 0.211 2938 K C 0.779 177.251 176.600 -0.214 0.000 1.047 2938 K CA 2.366 58.450 56.287 -0.337 0.000 0.933 2938 K CB -0.338 31.799 32.500 -0.606 0.000 0.721 2938 K HN 0.778 nan 8.250 nan 0.000 0.471 2939 F N -0.564 119.323 119.950 -0.105 0.000 2.811 2939 F HA 0.055 4.582 4.527 0.000 0.000 0.301 2939 F C 0.937 176.681 175.800 -0.094 0.000 1.151 2939 F CA 0.076 58.009 58.000 -0.111 0.000 1.412 2939 F CB 0.423 39.341 39.000 -0.136 0.000 1.113 2939 F HN 0.132 nan 8.300 nan 0.000 0.579 2940 E N -1.509 118.732 120.200 0.069 0.000 2.614 2940 E HA 0.062 4.412 4.350 0.000 0.000 0.192 2940 E C 1.090 177.687 176.600 -0.005 0.000 0.930 2940 E CA -0.231 56.180 56.400 0.018 0.000 1.346 2940 E CB 0.309 30.010 29.700 0.001 0.000 1.252 2940 E HN 0.088 nan 8.360 nan 0.000 0.647 2941 R N 1.205 121.698 120.500 -0.013 0.000 2.310 2941 R HA -0.228 4.112 4.340 0.000 0.000 0.188 2941 R C -1.537 174.755 176.300 -0.013 0.000 1.034 2941 R CA 2.331 58.420 56.100 -0.018 0.000 0.330 2941 R CB -2.383 27.906 30.300 -0.018 0.000 0.678 2941 R HN 0.196 nan 8.270 nan 0.000 0.243 2942 P HA 0.291 nan 4.420 nan 0.000 0.288 2942 P C -1.047 176.246 177.300 -0.012 0.000 1.363 2942 P CA 0.402 63.498 63.100 -0.007 0.000 0.837 2942 P CB 2.028 33.724 31.700 -0.006 0.000 0.981 2943 S N 1.949 117.642 115.700 -0.011 0.000 2.627 2943 S HA 0.511 4.981 4.470 0.000 0.000 0.270 2943 S C -0.825 173.766 174.600 -0.014 0.000 1.147 2943 S CA -0.480 57.709 58.200 -0.019 0.000 0.944 2943 S CB -0.005 63.178 63.200 -0.029 0.000 1.201 2943 S HN 0.540 nan 8.310 nan 0.000 0.479 2944 I N -0.076 120.480 120.570 -0.023 0.000 3.145 2944 I HA 0.810 4.980 4.170 0.000 0.000 0.313 2944 I C -0.896 175.207 176.117 -0.024 0.000 1.122 2944 I CA -0.695 60.595 61.300 -0.017 0.000 0.987 2944 I CB 1.875 39.864 38.000 -0.018 0.000 1.236 2944 I HN 0.574 nan 8.210 nan 0.000 0.453 2945 Q N 1.978 121.771 119.800 -0.013 0.000 2.333 2945 Q HA 0.563 4.903 4.340 0.000 0.000 0.265 2945 Q C -1.785 174.208 176.000 -0.012 0.000 0.989 2945 Q CA -0.828 54.967 55.803 -0.013 0.000 0.842 2945 Q CB 1.532 30.275 28.738 0.008 0.000 1.262 2945 Q HN 0.641 nan 8.270 nan 0.000 0.451 2946 L N 3.764 124.968 121.223 -0.031 0.000 2.265 2946 L HA 0.437 4.777 4.340 0.000 0.000 0.288 2946 L C -0.531 176.336 176.870 -0.005 0.000 1.058 2946 L CA 0.258 55.081 54.840 -0.028 0.000 0.809 2946 L CB 1.333 43.358 42.059 -0.057 0.000 1.179 2946 L HN 0.678 nan 8.230 nan 0.000 0.429 2947 T N 2.934 117.509 114.554 0.035 0.000 2.892 2947 T HA 0.653 5.003 4.350 0.000 0.000 0.311 2947 T C 0.317 175.079 174.700 0.103 0.000 1.033 2947 T CA -0.631 61.528 62.100 0.099 0.000 0.991 2947 T CB 1.330 70.291 68.868 0.155 0.000 0.981 2947 T HN 0.685 nan 8.240 nan 0.000 0.457 2948 A N 3.354 126.240 122.820 0.111 0.000 2.466 2948 A HA 0.618 4.939 4.320 0.000 0.000 0.238 2948 A C 0.972 178.628 177.584 0.120 0.000 1.074 2948 A CA -0.234 51.864 52.037 0.102 0.000 0.774 2948 A CB -0.018 19.069 19.000 0.146 0.000 1.015 2948 A HN 0.901 nan 8.150 nan 0.000 0.498 2949 T N -1.751 112.845 114.554 0.070 0.000 2.858 2949 T HA 0.481 4.832 4.350 0.000 0.000 0.285 2949 T C 0.896 175.613 174.700 0.027 0.000 1.052 2949 T CA -0.190 61.940 62.100 0.050 0.000 1.009 2949 T CB 1.206 70.088 68.868 0.023 0.000 1.241 2949 T HN 0.711 nan 8.240 nan 0.000 0.542 2950 K N 0.236 120.640 120.400 0.008 0.000 2.152 2950 K HA -0.103 4.217 4.320 0.000 0.000 0.206 2950 K C 2.098 178.675 176.600 -0.038 0.000 1.048 2950 K CA 0.657 56.943 56.287 -0.003 0.000 0.933 2950 K CB -0.174 32.318 32.500 -0.012 0.000 0.721 2950 K HN 0.332 nan 8.250 nan 0.000 0.447 2951 R N 1.365 121.816 120.500 -0.082 0.000 2.070 2951 R HA -0.029 4.311 4.340 0.000 0.000 0.233 2951 R C 0.649 176.857 176.300 -0.152 0.000 1.137 2951 R CA 1.289 57.274 56.100 -0.192 0.000 0.945 2951 R CB -1.299 28.818 30.300 -0.305 0.000 0.845 2951 R HN 0.296 nan 8.270 nan 0.000 0.430 2952 T N 2.014 116.525 114.554 -0.072 0.000 2.826 2952 T HA -0.110 4.240 4.350 0.000 0.000 0.301 2952 T C 0.320 174.897 174.700 -0.206 0.000 1.038 2952 T CA 0.839 62.873 62.100 -0.110 0.000 1.134 2952 T CB 0.353 69.111 68.868 -0.184 0.000 1.083 2952 T HN 0.248 nan 8.240 nan 0.000 0.494 2953 Q N 0.497 120.087 119.800 -0.350 0.000 2.472 2953 Q HA 0.499 4.839 4.340 0.000 0.000 0.281 2953 Q C -1.909 173.777 176.000 -0.524 0.000 0.997 2953 Q CA -0.828 54.792 55.803 -0.305 0.000 0.828 2953 Q CB 1.751 30.514 28.738 0.041 0.000 1.443 2953 Q HN 0.747 nan 8.270 nan 0.000 0.390 2954 Y N 0.262 120.563 120.300 0.001 0.000 2.485 2954 Y HA 0.601 5.151 4.550 0.000 0.000 0.345 2954 Y C -0.511 175.390 175.900 0.002 0.000 0.998 2954 Y CA -0.973 57.096 58.100 -0.052 0.000 1.059 2954 Y CB 2.186 40.609 38.460 -0.062 0.000 1.234 2954 Y HN 0.461 nan 8.280 nan 0.000 0.461 2955 Q N 2.113 121.980 119.800 0.112 0.000 2.321 2955 Q HA 0.293 4.633 4.340 0.000 0.000 0.270 2955 Q C -1.489 174.559 176.000 0.079 0.000 1.032 2955 Q CA -0.715 55.136 55.803 0.080 0.000 0.784 2955 Q CB 2.059 30.788 28.738 -0.015 0.000 1.264 2955 Q HN 0.701 nan 8.270 nan 0.000 0.448 2956 Q N 4.450 124.259 119.800 0.014 0.000 2.331 2956 Q HA 0.457 4.797 4.340 0.000 0.000 0.257 2956 Q C -1.127 174.751 176.000 -0.204 0.000 0.957 2956 Q CA -0.349 55.310 55.803 -0.241 0.000 0.923 2956 Q CB 0.669 29.270 28.738 -0.227 0.000 1.212 2956 Q HN 0.704 nan 8.270 nan 0.000 0.443 2957 L N 5.718 126.784 121.223 -0.262 0.000 2.334 2957 L HA 0.649 4.989 4.340 0.000 0.000 0.272 2957 L C -2.006 174.736 176.870 -0.214 0.000 1.020 2957 L CA -2.223 52.515 54.840 -0.170 0.000 0.812 2957 L CB 1.336 43.320 42.059 -0.126 0.000 1.264 2957 L HN 0.575 nan 8.230 nan 0.000 0.439 2958 P HA 0.310 nan 4.420 nan 0.000 0.276 2958 P C -1.174 176.056 177.300 -0.116 0.000 1.261 2958 P CA -0.304 62.719 63.100 -0.128 0.000 0.800 2958 P CB 1.716 33.372 31.700 -0.074 0.000 1.066 2959 V N -0.521 119.330 119.914 -0.106 0.000 2.891 2959 V HA 0.216 4.336 4.120 0.000 0.000 0.304 2959 V C -0.060 176.011 176.094 -0.039 0.000 1.171 2959 V CA -0.801 61.464 62.300 -0.058 0.000 0.943 2959 V CB 1.918 33.660 31.823 -0.135 0.000 1.037 2959 V HN 0.704 nan 8.190 nan 0.000 0.427 2960 S N 1.726 117.431 115.700 0.007 0.000 2.505 2960 S HA 0.190 4.660 4.470 0.000 0.000 0.276 2960 S C 1.259 175.852 174.600 -0.012 0.000 1.274 2960 S CA 0.071 58.269 58.200 -0.004 0.000 1.053 2960 S CB 1.210 64.415 63.200 0.008 0.000 0.919 2960 S HN 0.789 nan 8.310 nan 0.000 0.490 2961 S N 2.961 118.646 115.700 -0.024 0.000 2.432 2961 S HA -0.251 4.219 4.470 0.000 0.000 0.243 2961 S C 1.359 175.953 174.600 -0.009 0.000 1.069 2961 S CA 2.235 60.420 58.200 -0.025 0.000 1.047 2961 S CB -0.441 62.747 63.200 -0.020 0.000 0.854 2961 S HN 0.890 nan 8.310 nan 0.000 0.474 2962 E N 0.045 120.245 120.200 -0.002 0.000 2.216 2962 E HA 0.082 4.433 4.350 0.000 0.000 0.192 2962 E C 2.177 178.786 176.600 0.015 0.000 0.973 2962 E CA 0.819 57.222 56.400 0.006 0.000 0.851 2962 E CB -0.481 29.220 29.700 0.001 0.000 0.804 2962 E HN 0.343 nan 8.360 nan 0.000 0.477 2963 T N 1.298 115.866 114.554 0.022 0.000 2.995 2963 T HA -0.032 4.318 4.350 0.000 0.000 0.269 2963 T C 1.591 176.337 174.700 0.076 0.000 1.091 2963 T CA 0.373 62.501 62.100 0.047 0.000 1.128 2963 T CB -0.103 68.808 68.868 0.073 0.000 0.891 2963 T HN -0.006 nan 8.240 nan 0.000 0.492 2964 L N 1.257 122.502 121.223 0.037 0.000 1.925 2964 L HA 0.025 4.365 4.340 0.000 0.000 0.215 2964 L C 1.774 178.677 176.870 0.055 0.000 1.082 2964 L CA 1.586 56.428 54.840 0.003 0.000 0.764 2964 L CB -0.852 41.169 42.059 -0.063 0.000 0.887 2964 L HN 0.080 nan 8.230 nan 0.000 0.432 2965 L N 0.192 121.445 121.223 0.050 0.000 2.683 2965 L HA -0.237 4.103 4.340 0.000 0.000 0.236 2965 L C 2.257 179.163 176.870 0.061 0.000 1.179 2965 L CA 1.277 56.159 54.840 0.069 0.000 0.822 2965 L CB -0.983 41.100 42.059 0.041 0.000 0.952 2965 L HN 0.513 nan 8.230 nan 0.000 0.455 2966 Q N -1.614 118.222 119.800 0.060 0.000 2.387 2966 Q HA 0.078 4.418 4.340 0.000 0.000 0.208 2966 Q C 2.324 178.355 176.000 0.053 0.000 0.935 2966 Q CA 1.417 57.245 55.803 0.043 0.000 0.891 2966 Q CB -0.027 28.728 28.738 0.028 0.000 1.007 2966 Q HN 0.481 nan 8.270 nan 0.000 0.548 2967 V N -1.227 118.740 119.914 0.089 0.000 2.273 2967 V HA -0.059 4.061 4.120 0.000 0.000 0.242 2967 V C 1.766 177.929 176.094 0.115 0.000 1.035 2967 V CA 0.720 63.081 62.300 0.102 0.000 1.013 2967 V CB -1.198 30.722 31.823 0.162 0.000 0.652 2967 V HN 0.113 nan 8.190 nan 0.000 0.452 2968 Y N 1.280 121.564 120.300 -0.027 0.000 2.452 2968 Y HA 0.246 4.796 4.550 0.000 0.000 0.462 2968 Y C 0.744 176.605 175.900 -0.065 0.000 1.258 2968 Y CA 0.717 58.782 58.100 -0.059 0.000 2.026 2968 Y CB 0.104 38.524 38.460 -0.067 0.000 1.684 2968 Y HN 0.418 nan 8.280 nan 0.000 0.742 2969 Q N 1.327 120.752 119.800 -0.625 0.000 3.439 2969 Q HA 0.099 4.439 4.340 0.000 0.000 0.168 2969 Q C -2.853 172.522 176.000 -1.041 0.000 0.875 2969 Q CA -0.871 54.591 55.803 -0.567 0.000 1.344 2969 Q CB 0.302 28.838 28.738 -0.336 0.000 1.442 2969 Q HN 0.472 nan 8.270 nan 0.000 0.648 2970 P HA 0.115 nan 4.420 nan 0.000 0.274 2970 P C -0.254 176.732 177.300 -0.524 0.000 1.264 2970 P CA -0.156 62.493 63.100 -0.752 0.000 0.795 2970 P CB 0.869 32.464 31.700 -0.176 0.000 1.064 2971 R N -0.144 120.034 120.500 -0.536 0.000 2.490 2971 R HA 0.396 4.736 4.340 0.000 0.000 0.278 2971 R C 0.467 176.440 176.300 -0.545 0.000 1.069 2971 R CA -0.077 55.651 56.100 -0.618 0.000 1.080 2971 R CB 0.449 30.127 30.300 -1.036 0.000 1.030 2971 R HN 0.572 nan 8.270 nan 0.000 0.491 2972 E N 0.318 120.344 120.200 -0.290 0.000 2.352 2972 E HA 0.065 4.415 4.350 0.000 0.000 0.280 2972 E C -1.504 175.103 176.600 0.012 0.000 0.930 2972 E CA -0.360 55.998 56.400 -0.070 0.000 0.765 2972 E CB 2.004 31.656 29.700 -0.079 0.000 1.219 2972 E HN 0.410 nan 8.360 nan 0.000 0.434 2973 S N 4.826 120.549 115.700 0.039 0.000 2.465 2973 S HA 0.115 4.585 4.470 0.000 0.000 0.307 2973 S C 0.396 174.933 174.600 -0.104 0.000 1.187 2973 S CA -0.408 57.793 58.200 0.001 0.000 1.141 2973 S CB -0.459 62.772 63.200 0.051 0.000 1.108 2973 S HN 0.565 nan 8.310 nan 0.000 0.525 2974 L N 5.564 126.729 121.223 -0.095 0.000 2.586 2974 L HA -0.076 4.265 4.340 0.000 0.000 0.307 2974 L C 1.398 178.157 176.870 -0.186 0.000 1.274 2974 L CA 0.276 55.016 54.840 -0.167 0.000 0.857 2974 L CB 0.422 42.368 42.059 -0.188 0.000 1.099 2974 L HN 0.778 nan 8.230 nan 0.000 0.525 2975 H N 4.482 123.533 119.070 -0.033 0.000 2.535 2975 H HA 0.003 4.559 4.556 0.000 0.000 0.273 2975 H C 0.788 176.259 175.328 0.239 0.000 0.983 2975 H CA 1.348 57.448 56.048 0.086 0.000 1.238 2975 H CB 0.256 30.037 29.762 0.032 0.000 1.412 2975 H HN 0.810 nan 8.280 nan 0.000 0.562 2976 F N -1.373 118.578 119.950 0.003 0.000 2.509 2976 F HA -0.438 4.089 4.527 0.000 0.000 0.731 2976 F C 2.346 178.121 175.800 -0.043 0.000 0.486 2976 F CA 1.199 59.193 58.000 -0.011 0.000 0.852 2976 F CB -1.369 37.656 39.000 0.040 0.000 1.685 2976 F HN 0.033 nan 8.300 nan 0.000 0.274 2977 S N 0.960 116.782 115.700 0.203 0.000 2.404 2977 S HA -0.346 4.124 4.470 0.000 0.000 0.230 2977 S C 1.581 176.168 174.600 -0.022 0.000 1.046 2977 S CA 2.037 60.285 58.200 0.080 0.000 1.135 2977 S CB -0.643 62.584 63.200 0.045 0.000 1.056 2977 S HN 0.438 nan 8.310 nan 0.000 0.426 2978 R N 0.797 121.228 120.500 -0.115 0.000 2.190 2978 R HA -0.198 4.142 4.340 0.000 0.000 0.255 2978 R C 2.282 178.401 176.300 -0.303 0.000 1.143 2978 R CA 1.781 57.709 56.100 -0.287 0.000 0.965 2978 R CB -0.965 28.923 30.300 -0.688 0.000 0.889 2978 R HN 0.379 nan 8.270 nan 0.000 0.448 2979 L N 0.854 121.889 121.223 -0.312 0.000 2.263 2979 L HA -0.244 4.096 4.340 0.000 0.000 0.216 2979 L C 2.631 179.479 176.870 -0.037 0.000 1.111 2979 L CA 1.581 56.316 54.840 -0.176 0.000 0.773 2979 L CB -0.420 41.548 42.059 -0.152 0.000 0.906 2979 L HN 0.377 nan 8.230 nan 0.000 0.439 2980 S N -1.986 113.707 115.700 -0.012 0.000 2.362 2980 S HA -0.107 4.363 4.470 0.000 0.000 0.221 2980 S C 0.996 175.616 174.600 0.033 0.000 1.032 2980 S CA 0.005 58.220 58.200 0.025 0.000 0.973 2980 S CB -0.297 62.923 63.200 0.034 0.000 0.849 2980 S HN 0.358 nan 8.310 nan 0.000 0.465 2981 D N 3.669 124.087 120.400 0.029 0.000 2.506 2981 D HA 0.067 4.707 4.640 0.000 0.000 0.234 2981 D C -1.558 174.791 176.300 0.081 0.000 1.143 2981 D CA -1.128 52.903 54.000 0.052 0.000 0.871 2981 D CB 1.191 42.024 40.800 0.055 0.000 1.190 2981 D HN 0.194 nan 8.370 nan 0.000 0.459 2982 P HA 0.155 nan 4.420 nan 0.000 0.262 2982 P C 0.059 177.409 177.300 0.084 0.000 1.304 2982 P CA 0.019 63.164 63.100 0.074 0.000 0.859 2982 P CB 0.422 32.152 31.700 0.050 0.000 1.310 2983 A N -0.507 122.375 122.820 0.104 0.000 2.415 2983 A HA 0.207 4.527 4.320 0.000 0.000 0.248 2983 A C 0.124 177.798 177.584 0.149 0.000 1.299 2983 A CA -0.361 51.734 52.037 0.097 0.000 0.899 2983 A CB -0.931 18.118 19.000 0.083 0.000 0.997 2983 A HN 0.124 nan 8.150 nan 0.000 0.506 2984 F N 1.361 121.311 119.950 0.001 0.000 2.384 2984 F HA 0.356 4.883 4.527 0.000 0.000 0.359 2984 F C 0.336 176.127 175.800 -0.014 0.000 1.143 2984 F CA -0.493 57.504 58.000 -0.005 0.000 1.216 2984 F CB 0.427 39.425 39.000 -0.003 0.000 1.512 2984 F HN 0.204 nan 8.300 nan 0.000 0.573 2985 Q N 7.156 126.770 119.800 -0.310 0.000 2.706 2985 Q HA 0.248 4.588 4.340 0.000 0.000 0.250 2985 Q C -1.932 173.799 176.000 -0.448 0.000 1.120 2985 Q CA -1.881 53.754 55.803 -0.281 0.000 0.972 2985 Q CB 0.873 29.526 28.738 -0.142 0.000 1.173 2985 Q HN 0.459 nan 8.270 nan 0.000 0.522 2986 P HA 0.204 nan 4.420 nan 0.000 0.293 2986 P C -2.506 174.598 177.300 -0.326 0.000 1.298 2986 P CA -1.030 61.677 63.100 -0.655 0.000 0.757 2986 P CB -0.313 30.901 31.700 -0.810 0.000 1.262 2987 P HA 0.040 nan 4.420 nan 0.000 0.276 2987 P C 0.635 177.847 177.300 -0.148 0.000 1.264 2987 P CA -0.106 62.889 63.100 -0.174 0.000 0.769 2987 P CB -0.512 31.091 31.700 -0.161 0.000 0.840 2988 C N 0.913 120.136 119.300 -0.128 0.000 4.389 2988 C HA -0.255 4.205 4.460 0.000 0.000 0.293 2988 C C 1.227 176.147 174.990 -0.116 0.000 1.709 2988 C CA 0.486 59.441 59.018 -0.106 0.000 2.050 2988 C CB -3.548 24.135 27.740 -0.095 0.000 1.899 2988 C HN 0.655 nan 8.230 nan 0.000 0.706 2989 S N -1.090 114.531 115.700 -0.132 0.000 2.417 2989 S HA -0.137 4.333 4.470 0.000 0.000 0.260 2989 S C -0.178 174.348 174.600 -0.123 0.000 1.333 2989 S CA 1.139 59.265 58.200 -0.124 0.000 1.219 2989 S CB -1.202 61.926 63.200 -0.120 0.000 1.510 2989 S HN 0.979 nan 8.310 nan 0.000 0.656 2990 E N 1.046 121.171 120.200 -0.124 0.000 2.319 2990 E HA 0.614 4.964 4.350 0.000 0.000 0.268 2990 E C 0.169 176.736 176.600 -0.054 0.000 1.050 2990 E CA -0.172 56.162 56.400 -0.110 0.000 0.878 2990 E CB 1.616 31.252 29.700 -0.105 0.000 1.066 2990 E HN 0.373 nan 8.360 nan 0.000 0.406 2991 V N -0.715 119.175 119.914 -0.041 0.000 3.188 2991 V HA 0.522 4.642 4.120 0.000 0.000 0.305 2991 V C -1.823 174.269 176.094 -0.003 0.000 1.232 2991 V CA -0.798 61.498 62.300 -0.007 0.000 1.043 2991 V CB 2.605 34.435 31.823 0.012 0.000 1.068 2991 V HN 0.622 nan 8.190 nan 0.000 0.439 2992 D N 1.028 121.449 120.400 0.035 0.000 2.527 2992 D HA 0.804 5.444 4.640 0.000 0.000 0.233 2992 D C -0.913 175.462 176.300 0.126 0.000 1.063 2992 D CA 0.024 54.101 54.000 0.128 0.000 0.880 2992 D CB 2.368 43.315 40.800 0.244 0.000 1.457 2992 D HN 1.196 nan 8.370 nan 0.000 0.475 2993 V N -2.321 117.726 119.914 0.222 0.000 3.242 2993 V HA 0.753 4.873 4.120 0.000 0.000 0.298 2993 V C -1.092 175.132 176.094 0.216 0.000 1.352 2993 V CA -0.832 61.567 62.300 0.165 0.000 1.052 2993 V CB 1.912 33.713 31.823 -0.037 0.000 1.101 2993 V HN 0.325 nan 8.190 nan 0.000 0.446 2994 V N 0.209 120.281 119.914 0.262 0.000 2.888 2994 V HA 1.048 5.169 4.120 0.000 0.000 0.309 2994 V C 0.457 176.742 176.094 0.317 0.000 1.114 2994 V CA 0.546 62.961 62.300 0.192 0.000 0.940 2994 V CB 1.633 33.533 31.823 0.127 0.000 1.021 2994 V HN 1.720 nan 8.190 nan 0.000 0.426 2995 G N 1.366 110.302 108.800 0.227 0.000 2.488 2995 G HA2 0.557 4.517 3.960 0.000 0.000 0.301 2995 G HA3 0.557 4.517 3.960 0.000 0.000 0.301 2995 G C -2.078 172.920 174.900 0.163 0.000 1.339 2995 G CA -0.242 44.982 45.100 0.208 0.000 0.803 2995 G HN 0.838 nan 8.290 nan 0.000 0.482 2996 V N 0.064 120.070 119.914 0.154 0.000 2.581 2996 V HA 0.652 4.772 4.120 0.000 0.000 0.303 2996 V C 0.010 176.170 176.094 0.109 0.000 1.041 2996 V CA -0.688 61.696 62.300 0.140 0.000 0.907 2996 V CB 1.649 33.575 31.823 0.170 0.000 0.994 2996 V HN 0.769 nan 8.190 nan 0.000 0.442 2997 V N 7.429 127.402 119.914 0.098 0.000 2.485 2997 V HA 0.080 4.200 4.120 0.000 0.000 0.287 2997 V C 1.150 177.270 176.094 0.043 0.000 1.022 2997 V CA 1.010 63.356 62.300 0.077 0.000 1.067 2997 V CB 0.980 32.830 31.823 0.044 0.000 0.967 2997 V HN 0.939 nan 8.190 nan 0.000 0.479 2998 V N 2.192 122.134 119.914 0.047 0.000 3.523 2998 V HA 0.440 4.560 4.120 0.000 0.000 0.255 2998 V C 0.616 176.696 176.094 -0.024 0.000 1.226 2998 V CA 1.080 63.372 62.300 -0.013 0.000 1.092 2998 V CB 0.974 32.770 31.823 -0.046 0.000 0.817 2998 V HN 0.776 nan 8.190 nan 0.000 0.458 2999 S N -1.038 114.677 115.700 0.024 0.000 2.556 2999 S HA 0.606 5.076 4.470 0.000 0.000 0.280 2999 S C -1.364 173.279 174.600 0.071 0.000 1.141 2999 S CA -0.186 58.013 58.200 -0.001 0.000 0.883 2999 S CB 1.958 65.097 63.200 -0.102 0.000 1.103 2999 S HN 0.418 nan 8.310 nan 0.000 0.453 3000 V N 4.602 124.521 119.914 0.010 0.000 2.276 3000 V HA 0.384 4.504 4.120 0.000 0.000 0.268 3000 V C -0.124 175.961 176.094 -0.015 0.000 1.032 3000 V CA -0.608 61.683 62.300 -0.015 0.000 0.810 3000 V CB 1.058 32.824 31.823 -0.095 0.000 1.060 3000 V HN 0.710 nan 8.190 nan 0.000 0.446 3001 V N 5.753 125.697 119.914 0.049 0.000 2.508 3001 V HA 0.278 4.398 4.120 0.000 0.000 0.281 3001 V C 0.542 176.629 176.094 -0.012 0.000 1.041 3001 V CA -0.149 62.173 62.300 0.036 0.000 1.016 3001 V CB 1.182 33.072 31.823 0.112 0.000 0.984 3001 V HN 1.009 nan 8.190 nan 0.000 0.478 3002 K N 5.453 125.834 120.400 -0.032 0.000 3.098 3002 K HA 0.433 4.753 4.320 0.000 0.000 0.170 3002 K C -2.643 173.938 176.600 -0.031 0.000 1.106 3002 K CA -1.144 55.112 56.287 -0.052 0.000 0.864 3002 K CB 0.835 33.280 32.500 -0.092 0.000 1.047 3002 K HN 0.472 nan 8.250 nan 0.000 0.609 3003 P HA 0.086 nan 4.420 nan 0.000 0.269 3003 P C -0.253 177.044 177.300 -0.005 0.000 1.209 3003 P CA -0.141 62.957 63.100 -0.004 0.000 0.776 3003 P CB 0.980 32.685 31.700 0.009 0.000 0.876 3004 I N 1.366 121.934 120.570 -0.004 0.000 2.363 3004 I HA 0.346 4.516 4.170 0.000 0.000 0.292 3004 I C 1.194 177.314 176.117 0.006 0.000 1.075 3004 I CA 0.519 61.818 61.300 -0.002 0.000 1.333 3004 I CB 0.264 38.262 38.000 -0.003 0.000 1.415 3004 I HN 0.788 nan 8.210 nan 0.000 0.502 3005 G N 5.989 114.795 108.800 0.010 0.000 2.321 3005 G HA2 -0.056 3.904 3.960 0.000 0.000 0.219 3005 G HA3 -0.056 3.904 3.960 0.000 0.000 0.219 3005 G C 0.068 174.981 174.900 0.021 0.000 1.057 3005 G CA -0.880 44.230 45.100 0.017 0.000 0.849 3005 G HN 0.530 nan 8.290 nan 0.000 0.520 3006 L N -1.301 119.932 121.223 0.016 0.000 3.388 3006 L HA -0.039 4.301 4.340 0.000 0.000 0.459 3006 L C 1.503 178.388 176.870 0.024 0.000 1.253 3006 L CA 1.684 56.533 54.840 0.017 0.000 1.031 3006 L CB -0.192 41.882 42.059 0.024 0.000 0.635 3006 L HN 2.289 nan 8.230 nan 0.000 0.782 3007 A N -0.783 122.052 122.820 0.025 0.000 2.451 3007 A HA -0.042 4.278 4.320 0.000 0.000 0.273 3007 A C -1.810 175.788 177.584 0.022 0.000 1.384 3007 A CA -0.087 51.973 52.037 0.039 0.000 0.719 3007 A CB -1.827 17.207 19.000 0.058 0.000 1.146 3007 A HN 0.549 nan 8.150 nan 0.000 0.353 3008 P HA 0.535 nan 4.420 nan 0.000 0.270 3008 P C -0.438 176.836 177.300 -0.043 0.000 1.223 3008 P CA -0.028 63.024 63.100 -0.081 0.000 0.785 3008 P CB 0.698 32.264 31.700 -0.224 0.000 0.923 3009 L N 1.301 122.490 121.223 -0.056 0.000 2.354 3009 L HA 0.522 4.862 4.340 0.000 0.000 0.269 3009 L C -0.108 176.729 176.870 -0.055 0.000 1.005 3009 L CA -0.744 54.078 54.840 -0.030 0.000 0.819 3009 L CB 1.961 43.990 42.059 -0.050 0.000 1.311 3009 L HN 0.103 nan 8.230 nan 0.000 0.423 3010 V N 1.972 121.871 119.914 -0.025 0.000 2.525 3010 V HA 0.418 4.538 4.120 0.000 0.000 0.299 3010 V C -1.201 174.940 176.094 0.078 0.000 1.034 3010 V CA -0.704 61.613 62.300 0.029 0.000 0.863 3010 V CB 1.611 33.430 31.823 -0.006 0.000 0.999 3010 V HN 0.451 nan 8.190 nan 0.000 0.423 3011 Y N 5.530 125.860 120.300 0.049 0.000 2.327 3011 Y HA 0.696 5.247 4.550 0.000 0.000 0.336 3011 Y C 0.042 175.996 175.900 0.090 0.000 1.035 3011 Y CA -0.491 57.656 58.100 0.078 0.000 1.165 3011 Y CB 1.181 39.671 38.460 0.050 0.000 1.181 3011 Y HN 0.460 nan 8.280 nan 0.000 0.494 3012 L N 1.900 123.293 121.223 0.283 0.000 2.303 3012 L HA 0.808 5.148 4.340 0.000 0.000 0.266 3012 L C -0.050 176.955 176.870 0.226 0.000 1.011 3012 L CA -0.774 54.210 54.840 0.241 0.000 0.818 3012 L CB 1.934 44.169 42.059 0.293 0.000 1.326 3012 L HN 0.521 nan 8.230 nan 0.000 0.435 3013 S N -0.973 114.790 115.700 0.106 0.000 2.564 3013 S HA 0.709 5.179 4.470 0.000 0.000 0.274 3013 S C -1.486 173.018 174.600 -0.159 0.000 1.124 3013 S CA -0.786 57.393 58.200 -0.035 0.000 0.869 3013 S CB 1.509 64.713 63.200 0.007 0.000 1.105 3013 S HN 0.716 nan 8.310 nan 0.000 0.472 3014 D N 1.262 121.378 120.400 -0.473 0.000 2.539 3014 D HA 0.243 4.883 4.640 0.000 0.000 0.276 3014 D C 1.297 177.533 176.300 -0.107 0.000 1.206 3014 D CA -0.495 53.260 54.000 -0.408 0.000 1.081 3014 D CB 0.011 40.346 40.800 -0.775 0.000 1.142 3014 D HN 0.633 nan 8.370 nan 0.000 0.595 3015 E N -0.682 119.412 120.200 -0.177 0.000 2.333 3015 E HA -0.135 4.215 4.350 0.000 0.000 0.198 3015 E C 0.723 177.167 176.600 -0.260 0.000 1.007 3015 E CA 0.579 56.783 56.400 -0.328 0.000 0.845 3015 E CB -0.647 28.904 29.700 -0.249 0.000 0.766 3015 E HN 0.371 nan 8.360 nan 0.000 0.507 3016 C N 0.617 119.832 119.300 -0.142 0.000 2.855 3016 C HA 0.296 4.756 4.460 0.000 0.000 0.279 3016 C C 0.407 175.384 174.990 -0.022 0.000 1.270 3016 C CA -0.467 58.502 59.018 -0.082 0.000 1.702 3016 C CB -1.172 26.531 27.740 -0.062 0.000 1.949 3016 C HN 0.435 nan 8.230 nan 0.000 0.618 3017 L N 1.741 122.980 121.223 0.026 0.000 3.512 3017 L HA -0.160 4.180 4.340 0.000 0.000 0.446 3017 L C -0.581 176.303 176.870 0.023 0.000 1.290 3017 L CA 0.788 55.676 54.840 0.080 0.000 0.871 3017 L CB -2.133 39.995 42.059 0.114 0.000 1.767 3017 L HN 0.511 nan 8.230 nan 0.000 0.855 3018 N N 0.844 119.512 118.700 -0.053 0.000 2.399 3018 N HA 0.779 5.519 4.740 0.000 0.000 0.295 3018 N C -0.355 175.182 175.510 0.045 0.000 1.048 3018 N CA -0.659 52.399 53.050 0.012 0.000 0.886 3018 N CB 2.289 40.792 38.487 0.027 0.000 1.185 3018 N HN 0.032 nan 8.380 nan 0.000 0.487 3019 L N 1.305 122.632 121.223 0.173 0.000 2.286 3019 L HA 0.675 5.015 4.340 0.000 0.000 0.265 3019 L C 0.243 177.307 176.870 0.324 0.000 1.012 3019 L CA -0.937 54.056 54.840 0.255 0.000 0.818 3019 L CB 1.041 43.255 42.059 0.257 0.000 1.337 3019 L HN 0.528 nan 8.230 nan 0.000 0.438 3020 L N -0.689 120.721 121.223 0.311 0.000 2.710 3020 L HA 0.888 5.229 4.340 0.000 0.000 0.260 3020 L C -1.287 175.603 176.870 0.033 0.000 0.993 3020 L CA -0.892 54.050 54.840 0.170 0.000 0.877 3020 L CB 2.038 44.187 42.059 0.150 0.000 1.461 3020 L HN 0.312 nan 8.230 nan 0.000 0.413 3021 V N -0.130 119.715 119.914 -0.115 0.000 2.815 3021 V HA 0.711 4.831 4.120 0.000 0.000 0.314 3021 V C -0.178 175.861 176.094 -0.091 0.000 1.064 3021 V CA -0.783 61.344 62.300 -0.288 0.000 0.952 3021 V CB 1.752 33.252 31.823 -0.538 0.000 1.020 3021 V HN 0.557 nan 8.190 nan 0.000 0.439 3022 V N 2.534 122.441 119.914 -0.011 0.000 2.284 3022 V HA 0.342 4.462 4.120 0.000 0.000 0.274 3022 V C 0.278 176.437 176.094 0.107 0.000 1.023 3022 V CA -0.629 61.711 62.300 0.067 0.000 0.808 3022 V CB 0.891 32.850 31.823 0.226 0.000 1.035 3022 V HN 0.891 nan 8.190 nan 0.000 0.445 3023 K N 3.412 123.810 120.400 -0.004 0.000 2.412 3023 K HA 0.328 4.648 4.320 0.000 0.000 0.281 3023 K C -0.843 175.638 176.600 -0.198 0.000 1.027 3023 K CA -0.108 56.178 56.287 -0.001 0.000 0.989 3023 K CB 0.389 32.896 32.500 0.013 0.000 0.935 3023 K HN 0.390 nan 8.250 nan 0.000 0.475 3024 F N 1.184 120.958 119.950 -0.293 0.000 2.410 3024 F HA 0.246 4.773 4.527 0.000 0.000 0.349 3024 F C 1.333 176.901 175.800 -0.387 0.000 1.117 3024 F CA -0.356 57.430 58.000 -0.357 0.000 1.104 3024 F CB 1.794 40.660 39.000 -0.224 0.000 1.122 3024 F HN 0.712 nan 8.300 nan 0.000 0.483 3025 G N 3.846 112.337 108.800 -0.516 0.000 3.088 3025 G HA2 0.269 4.229 3.960 0.000 0.000 0.217 3025 G HA3 0.269 4.229 3.960 0.000 0.000 0.217 3025 G C 0.371 175.232 174.900 -0.064 0.000 1.159 3025 G CA 0.179 45.172 45.100 -0.178 0.000 0.760 3025 G HN 0.586 nan 8.290 nan 0.000 0.550 3026 I N -4.022 116.530 120.570 -0.029 0.000 3.660 3026 I HA 0.663 4.833 4.170 0.000 0.000 0.287 3026 I C -1.579 174.607 176.117 0.115 0.000 1.142 3026 I CA -1.339 59.974 61.300 0.022 0.000 1.121 3026 I CB 1.350 39.350 38.000 0.001 0.000 1.373 3026 I HN -0.358 nan 8.210 nan 0.000 0.473 3027 D N 1.736 122.187 120.400 0.086 0.000 2.177 3027 D HA 0.447 5.087 4.640 0.000 0.000 0.247 3027 D C -0.474 175.843 176.300 0.029 0.000 1.063 3027 D CA -0.145 53.879 54.000 0.038 0.000 0.867 3027 D CB 1.801 42.607 40.800 0.010 0.000 1.168 3027 D HN 0.404 nan 8.370 nan 0.000 0.445 3028 L N 3.287 124.436 121.223 -0.123 0.000 2.891 3028 L HA -0.107 4.233 4.340 0.000 0.000 0.290 3028 L C 1.229 178.008 176.870 -0.150 0.000 1.093 3028 L CA 0.051 54.730 54.840 -0.267 0.000 1.108 3028 L CB -0.652 41.148 42.059 -0.430 0.000 1.488 3028 L HN 0.263 nan 8.230 nan 0.000 0.447 3029 N N 1.574 120.229 118.700 -0.075 0.000 2.559 3029 N HA -0.269 4.471 4.740 0.000 0.000 0.204 3029 N C 0.656 176.140 175.510 -0.044 0.000 1.031 3029 N CA 1.238 54.280 53.050 -0.013 0.000 0.936 3029 N CB -0.283 38.238 38.487 0.056 0.000 0.946 3029 N HN 0.651 nan 8.380 nan 0.000 0.457 3030 E N -1.656 118.483 120.200 -0.103 0.000 8.281 3030 E HA -0.280 4.070 4.350 0.000 0.000 0.174 3030 E C 0.062 176.619 176.600 -0.072 0.000 1.453 3030 E CA 1.375 57.721 56.400 -0.091 0.000 2.520 3030 E CB -1.043 28.622 29.700 -0.058 0.000 1.431 3030 E HN 0.310 nan 8.360 nan 0.000 0.461 3031 D N -2.094 118.272 120.400 -0.056 0.000 2.614 3031 D HA -0.235 4.405 4.640 0.000 0.000 0.182 3031 D C 0.462 176.731 176.300 -0.051 0.000 1.067 3031 D CA 1.541 55.518 54.000 -0.039 0.000 1.053 3031 D CB -1.177 39.614 40.800 -0.015 0.000 1.117 3031 D HN 0.431 nan 8.370 nan 0.000 0.438 3032 I N 1.276 121.793 120.570 -0.088 0.000 2.268 3032 I HA 0.077 4.247 4.170 0.000 0.000 0.298 3032 I C 0.402 176.453 176.117 -0.110 0.000 1.185 3032 I CA 0.337 61.569 61.300 -0.114 0.000 1.548 3032 I CB -0.147 37.726 38.000 -0.213 0.000 1.492 3032 I HN -0.059 nan 8.210 nan 0.000 0.711 3033 K N 6.091 126.446 120.400 -0.074 0.000 2.267 3033 K HA 0.530 4.850 4.320 0.000 0.000 0.246 3033 K C -2.377 174.191 176.600 -0.053 0.000 0.954 3033 K CA -1.754 54.490 56.287 -0.071 0.000 0.824 3033 K CB 1.958 34.418 32.500 -0.067 0.000 1.167 3033 K HN 0.064 nan 8.250 nan 0.000 0.431 3034 P HA -0.029 nan 4.420 nan 0.000 0.272 3034 P C -0.790 176.483 177.300 -0.044 0.000 1.248 3034 P CA 0.229 63.307 63.100 -0.037 0.000 0.799 3034 P CB 0.410 32.080 31.700 -0.049 0.000 0.997 3035 R N -3.853 116.645 120.500 -0.004 0.000 3.963 3035 R HA -0.104 4.236 4.340 0.000 0.000 0.394 3035 R C -0.244 176.104 176.300 0.080 0.000 1.131 3035 R CA 0.267 56.374 56.100 0.010 0.000 1.059 3035 R CB -2.790 27.334 30.300 -0.293 0.000 1.614 3035 R HN 0.274 nan 8.270 nan 0.000 0.546 3036 V N 1.559 121.512 119.914 0.066 0.000 2.483 3036 V HA 0.353 4.473 4.120 0.000 0.000 0.295 3036 V C 0.150 176.300 176.094 0.092 0.000 1.035 3036 V CA -0.905 61.435 62.300 0.066 0.000 0.896 3036 V CB 1.690 33.526 31.823 0.022 0.000 0.986 3036 V HN 0.151 nan 8.190 nan 0.000 0.447 3037 L N 6.697 127.973 121.223 0.088 0.000 2.410 3037 L HA 0.408 4.748 4.340 0.000 0.000 0.273 3037 L C -0.524 176.374 176.870 0.048 0.000 1.144 3037 L CA 0.907 55.793 54.840 0.075 0.000 0.863 3037 L CB 0.156 42.247 42.059 0.053 0.000 1.140 3037 L HN 0.385 nan 8.230 nan 0.000 0.463 3038 I N 4.606 125.210 120.570 0.056 0.000 2.730 3038 I HA 0.581 4.751 4.170 0.000 0.000 0.298 3038 I C -0.449 175.655 176.117 -0.022 0.000 1.089 3038 I CA -0.731 60.602 61.300 0.054 0.000 1.041 3038 I CB 1.820 39.906 38.000 0.144 0.000 1.235 3038 I HN 0.697 nan 8.210 nan 0.000 0.423 3039 A N 4.612 127.355 122.820 -0.128 0.000 2.409 3039 A HA 0.832 5.152 4.320 0.000 0.000 0.300 3039 A C -0.240 177.148 177.584 -0.327 0.000 1.273 3039 A CA -0.493 51.280 52.037 -0.439 0.000 0.774 3039 A CB 0.841 19.229 19.000 -1.021 0.000 1.144 3039 A HN 0.774 nan 8.150 nan 0.000 0.472 3040 A N 1.914 124.617 122.820 -0.196 0.000 2.316 3040 A HA 0.782 5.102 4.320 0.000 0.000 0.284 3040 A C 0.276 177.761 177.584 -0.164 0.000 1.115 3040 A CA -0.266 51.525 52.037 -0.411 0.000 0.812 3040 A CB 0.412 19.165 19.000 -0.411 0.000 1.064 3040 A HN 1.128 nan 8.150 nan 0.000 0.489 3041 S N 0.969 116.535 115.700 -0.224 0.000 2.557 3041 S HA 0.560 5.030 4.470 0.000 0.000 0.291 3041 S C -0.277 174.292 174.600 -0.052 0.000 1.116 3041 S CA -0.807 57.422 58.200 0.048 0.000 0.992 3041 S CB 1.024 64.348 63.200 0.207 0.000 1.028 3041 S HN 0.821 nan 8.310 nan 0.000 0.484 3042 N N -0.016 118.680 118.700 -0.006 0.000 2.861 3042 N HA -0.129 4.611 4.740 0.000 0.000 0.247 3042 N C -1.381 174.066 175.510 -0.105 0.000 1.117 3042 N CA 0.097 53.117 53.050 -0.050 0.000 0.703 3042 N CB -1.397 37.067 38.487 -0.037 0.000 1.052 3042 N HN 0.451 nan 8.380 nan 0.000 0.555 3043 L N 0.685 121.840 121.223 -0.114 0.000 2.326 3043 L HA 0.359 4.699 4.340 0.000 0.000 0.278 3043 L C 0.959 177.761 176.870 -0.113 0.000 1.092 3043 L CA 0.074 54.846 54.840 -0.113 0.000 0.810 3043 L CB 0.935 42.923 42.059 -0.118 0.000 1.153 3043 L HN 0.171 nan 8.230 nan 0.000 0.439 3044 Q N 0.740 120.469 119.800 -0.118 0.000 2.443 3044 Q HA 0.282 4.622 4.340 0.000 0.000 0.232 3044 Q C -0.740 175.187 176.000 -0.122 0.000 1.026 3044 Q CA 0.108 55.752 55.803 -0.265 0.000 0.924 3044 Q CB 1.089 29.483 28.738 -0.573 0.000 1.256 3044 Q HN 0.709 nan 8.270 nan 0.000 0.519 3045 C N 1.591 120.814 119.300 -0.129 0.000 2.335 3045 C HA 0.628 5.089 4.460 0.000 0.000 0.363 3045 C C -0.730 174.254 174.990 -0.010 0.000 1.198 3045 C CA -0.337 58.659 59.018 -0.036 0.000 2.279 3045 C CB 0.948 28.683 27.740 -0.008 0.000 2.334 3045 C HN 0.734 nan 8.230 nan 0.000 0.559 3046 Q N 0.871 120.688 119.800 0.030 0.000 2.435 3046 Q HA 0.238 4.578 4.340 0.000 0.000 0.282 3046 Q C -2.056 173.974 176.000 0.050 0.000 1.020 3046 Q CA -1.050 54.785 55.803 0.052 0.000 0.820 3046 Q CB 1.529 30.320 28.738 0.088 0.000 1.436 3046 Q HN 0.399 nan 8.270 nan 0.000 0.395 3047 P HA -0.230 nan 4.420 nan 0.000 0.203 3047 P C 0.054 177.382 177.300 0.046 0.000 1.087 3047 P CA 1.829 64.957 63.100 0.047 0.000 0.952 3047 P CB 0.362 32.089 31.700 0.046 0.000 0.758 3048 E N -3.205 117.022 120.200 0.046 0.000 2.315 3048 E HA 0.548 4.899 4.350 0.000 0.000 0.256 3048 E C -0.159 176.466 176.600 0.042 0.000 1.148 3048 E CA -0.575 55.850 56.400 0.042 0.000 0.898 3048 E CB 1.038 30.763 29.700 0.041 0.000 1.708 3048 E HN 0.031 nan 8.360 nan 0.000 0.473 3049 S N -1.419 114.305 115.700 0.040 0.000 4.436 3049 S HA 0.201 4.671 4.470 0.000 0.000 0.207 3049 S C -0.844 173.786 174.600 0.050 0.000 1.209 3049 S CA 0.336 58.559 58.200 0.039 0.000 1.086 3049 S CB -0.250 62.960 63.200 0.017 0.000 2.036 3049 S HN 0.518 nan 8.310 nan 0.000 0.627 3050 T N 3.924 118.515 114.554 0.061 0.000 2.669 3050 T HA 0.151 4.501 4.350 0.000 0.000 0.245 3050 T C 0.211 174.964 174.700 0.088 0.000 1.053 3050 T CA 0.907 63.069 62.100 0.104 0.000 1.387 3050 T CB -1.429 67.562 68.868 0.206 0.000 1.045 3050 T HN 1.041 nan 8.240 nan 0.000 0.531 3051 S N 2.404 118.141 115.700 0.061 0.000 4.268 3051 S HA -0.053 4.417 4.470 0.000 0.000 0.291 3051 S C 1.582 176.209 174.600 0.045 0.000 0.440 3051 S CA 0.087 58.313 58.200 0.044 0.000 1.363 3051 S CB -1.189 62.029 63.200 0.031 0.000 1.853 3051 S HN 1.408 nan 8.310 nan 0.000 0.331 3052 G N 1.572 110.400 108.800 0.047 0.000 3.102 3052 G HA2 -0.212 3.748 3.960 0.000 0.000 0.200 3052 G HA3 -0.212 3.748 3.960 0.000 0.000 0.200 3052 G C 0.208 175.148 174.900 0.067 0.000 1.685 3052 G CA -0.108 45.020 45.100 0.048 0.000 1.299 3052 G HN 1.995 nan 8.290 nan 0.000 0.576 3053 V N 5.552 125.521 119.914 0.092 0.000 2.637 3053 V HA 0.571 4.691 4.120 0.000 0.000 0.296 3053 V C -1.413 174.723 176.094 0.070 0.000 1.046 3053 V CA -1.039 61.325 62.300 0.107 0.000 1.066 3053 V CB 1.134 33.064 31.823 0.177 0.000 0.968 3053 V HN 0.501 nan 8.190 nan 0.000 0.483 3054 P HA 0.279 nan 4.420 nan 0.000 0.272 3054 P C -0.579 176.730 177.300 0.014 0.000 1.240 3054 P CA -0.031 63.092 63.100 0.037 0.000 0.791 3054 P CB 0.785 32.506 31.700 0.034 0.000 0.978 3055 T N 0.457 115.019 114.554 0.012 0.000 2.926 3055 T HA 0.733 5.083 4.350 0.000 0.000 0.289 3055 T C -0.364 174.341 174.700 0.008 0.000 1.054 3055 T CA -0.650 61.453 62.100 0.004 0.000 1.015 3055 T CB 1.078 69.961 68.868 0.025 0.000 1.167 3055 T HN 0.284 nan 8.240 nan 0.000 0.526 3056 L N 1.342 122.572 121.223 0.011 0.000 2.526 3056 L HA 0.503 4.843 4.340 0.000 0.000 0.263 3056 L C -1.489 175.404 176.870 0.038 0.000 0.943 3056 L CA -0.931 53.916 54.840 0.012 0.000 0.859 3056 L CB 2.123 44.163 42.059 -0.033 0.000 1.313 3056 L HN 0.618 nan 8.230 nan 0.000 0.406 3057 F N 2.766 122.664 119.950 -0.088 0.000 2.385 3057 F HA 0.715 5.242 4.527 0.000 0.000 0.336 3057 F C 0.180 175.887 175.800 -0.154 0.000 1.100 3057 F CA -0.539 57.411 58.000 -0.083 0.000 1.116 3057 F CB 1.509 40.493 39.000 -0.027 0.000 1.166 3057 F HN 0.459 nan 8.300 nan 0.000 0.511 3058 A N 6.275 128.507 122.820 -0.981 0.000 2.280 3058 A HA 0.496 4.816 4.320 0.000 0.000 0.320 3058 A C -0.322 177.035 177.584 -0.380 0.000 1.366 3058 A CA -0.537 51.108 52.037 -0.652 0.000 0.938 3058 A CB -0.319 18.051 19.000 -1.049 0.000 1.157 3058 A HN 0.978 nan 8.150 nan 0.000 0.536 3059 C N 1.814 121.246 119.300 0.221 0.000 2.553 3059 C HA 0.271 4.731 4.460 0.000 0.000 0.345 3059 C C 1.892 176.978 174.990 0.160 0.000 1.369 3059 C CA -0.348 58.927 59.018 0.428 0.000 2.447 3059 C CB -0.092 27.857 27.740 0.349 0.000 2.358 3059 C HN 0.971 nan 8.230 nan 0.000 0.676 3060 H N 0.225 119.372 119.070 0.129 0.000 2.457 3060 H HA -0.015 4.541 4.556 0.000 0.000 0.294 3060 H C 1.507 176.722 175.328 -0.190 0.000 1.064 3060 H CA 1.867 57.879 56.048 -0.061 0.000 1.330 3060 H CB -0.050 29.578 29.762 -0.223 0.000 1.395 3060 H HN 0.705 nan 8.280 nan 0.000 0.541 3061 F N 0.203 120.242 119.950 0.148 0.000 2.776 3061 F HA 0.068 4.596 4.527 0.000 0.000 0.300 3061 F C 1.483 177.262 175.800 -0.035 0.000 1.116 3061 F CA -0.242 57.753 58.000 -0.009 0.000 1.375 3061 F CB 0.390 39.241 39.000 -0.248 0.000 1.109 3061 F HN -0.171 nan 8.300 nan 0.000 0.585 3062 S N 0.991 116.760 115.700 0.115 0.000 2.580 3062 S HA 0.286 4.756 4.470 0.000 0.000 0.266 3062 S C -0.104 174.481 174.600 -0.026 0.000 1.354 3062 S CA 0.142 58.325 58.200 -0.030 0.000 1.008 3062 S CB 0.556 63.707 63.200 -0.083 0.000 0.898 3062 S HN -0.066 nan 8.310 nan 0.000 0.555 3063 I N 1.405 121.821 120.570 -0.257 0.000 2.841 3063 I HA 0.478 4.648 4.170 0.000 0.000 0.298 3063 I C -1.350 174.476 176.117 -0.486 0.000 1.304 3063 I CA -0.331 60.885 61.300 -0.140 0.000 1.019 3063 I CB 1.813 39.815 38.000 0.003 0.000 1.282 3063 I HN 0.518 nan 8.210 nan 0.000 0.432 3064 F N 1.972 121.952 119.950 0.050 0.000 2.626 3064 F HA 0.679 5.206 4.527 0.000 0.000 0.311 3064 F C 0.147 175.947 175.800 -0.000 0.000 1.088 3064 F CA -0.724 57.290 58.000 0.023 0.000 0.949 3064 F CB 2.219 41.260 39.000 0.069 0.000 1.322 3064 F HN 0.346 nan 8.300 nan 0.000 0.461 3065 S N -0.129 115.660 115.700 0.149 0.000 2.537 3065 S HA 0.703 5.173 4.470 0.000 0.000 0.271 3065 S C -0.442 174.163 174.600 0.008 0.000 1.148 3065 S CA 0.112 58.342 58.200 0.049 0.000 0.868 3065 S CB 1.584 64.772 63.200 -0.021 0.000 1.115 3065 S HN 0.928 nan 8.310 nan 0.000 0.461 3066 A N 1.861 124.687 122.820 0.010 0.000 2.348 3066 A HA 0.591 4.912 4.320 0.000 0.000 0.224 3066 A C 0.640 178.213 177.584 -0.018 0.000 1.227 3066 A CA 0.463 52.501 52.037 0.000 0.000 0.885 3066 A CB -0.004 19.003 19.000 0.011 0.000 0.933 3066 A HN 1.062 nan 8.150 nan 0.000 0.506 3067 S N 1.547 117.231 115.700 -0.028 0.000 2.385 3067 S HA 0.425 4.895 4.470 0.000 0.000 0.191 3067 S C -3.263 171.315 174.600 -0.036 0.000 1.196 3067 S CA -1.008 57.176 58.200 -0.026 0.000 1.178 3067 S CB 1.011 64.209 63.200 -0.003 0.000 1.258 3067 S HN 0.194 nan 8.310 nan 0.000 0.430 3068 P HA 0.469 nan 4.420 nan 0.000 0.284 3068 P C -0.199 177.109 177.300 0.014 0.000 1.253 3068 P CA -0.552 62.495 63.100 -0.088 0.000 0.800 3068 P CB 1.326 32.843 31.700 -0.304 0.000 0.961 3069 K N 0.718 121.162 120.400 0.074 0.000 2.399 3069 K HA 0.140 4.460 4.320 0.000 0.000 0.196 3069 K C 0.202 176.887 176.600 0.141 0.000 1.117 3069 K CA 0.345 56.688 56.287 0.094 0.000 0.965 3069 K CB -0.014 32.537 32.500 0.084 0.000 0.983 3069 K HN 0.461 nan 8.250 nan 0.000 0.531 3070 E N 1.666 121.994 120.200 0.212 0.000 2.493 3070 E HA 0.025 4.375 4.350 0.000 0.000 0.255 3070 E C 0.998 177.709 176.600 0.185 0.000 0.999 3070 E CA 0.262 56.813 56.400 0.252 0.000 0.934 3070 E CB 0.694 30.599 29.700 0.343 0.000 0.940 3070 E HN 0.184 nan 8.360 nan 0.000 0.473 3071 A N 4.178 127.108 122.820 0.183 0.000 1.908 3071 A HA -0.259 4.062 4.320 0.000 0.000 0.218 3071 A C 1.826 179.482 177.584 0.119 0.000 1.181 3071 A CA 1.877 53.997 52.037 0.137 0.000 0.627 3071 A CB -1.060 18.012 19.000 0.121 0.000 0.818 3071 A HN 0.886 nan 8.150 nan 0.000 0.445 3072 Y N -2.925 117.320 120.300 -0.092 0.000 2.639 3072 Y HA -0.083 4.467 4.550 0.000 0.000 0.289 3072 Y C 1.587 177.362 175.900 -0.208 0.000 1.155 3072 Y CA 0.946 58.933 58.100 -0.190 0.000 1.379 3072 Y CB -0.736 37.537 38.460 -0.313 0.000 0.967 3072 Y HN 0.249 nan 8.280 nan 0.000 0.569 3073 F N 0.128 119.913 119.950 -0.275 0.000 2.222 3073 F HA -0.033 4.494 4.527 0.000 0.000 0.285 3073 F C 2.436 178.182 175.800 -0.089 0.000 1.068 3073 F CA 0.548 58.392 58.000 -0.261 0.000 1.265 3073 F CB -0.618 38.179 39.000 -0.338 0.000 1.087 3073 F HN -0.085 nan 8.300 nan 0.000 0.511 3074 Q N 0.855 120.745 119.800 0.150 0.000 2.146 3074 Q HA -0.361 3.979 4.340 0.000 0.000 0.217 3074 Q C 1.910 177.957 176.000 0.077 0.000 1.023 3074 Q CA 2.481 58.337 55.803 0.089 0.000 0.903 3074 Q CB -0.663 28.117 28.738 0.069 0.000 0.990 3074 Q HN 0.470 nan 8.270 nan 0.000 0.413 3075 E N -0.620 119.627 120.200 0.079 0.000 2.284 3075 E HA -0.283 4.067 4.350 0.000 0.000 0.200 3075 E C 1.393 178.048 176.600 0.091 0.000 1.008 3075 E CA 1.505 57.952 56.400 0.080 0.000 0.829 3075 E CB 0.055 29.802 29.700 0.079 0.000 0.744 3075 E HN 0.064 nan 8.360 nan 0.000 0.491 3076 K N -1.060 119.399 120.400 0.099 0.000 2.399 3076 K HA 0.123 4.443 4.320 0.000 0.000 0.196 3076 K C 1.485 178.141 176.600 0.094 0.000 1.103 3076 K CA 0.169 56.522 56.287 0.111 0.000 0.986 3076 K CB 0.377 32.956 32.500 0.131 0.000 0.952 3076 K HN -0.030 nan 8.250 nan 0.000 0.541 3077 V N 2.520 122.484 119.914 0.082 0.000 2.239 3077 V HA -0.229 3.891 4.120 0.000 0.000 0.242 3077 V C 1.639 177.733 176.094 -0.000 0.000 1.038 3077 V CA 2.269 64.594 62.300 0.042 0.000 1.002 3077 V CB -0.537 31.304 31.823 0.029 0.000 0.641 3077 V HN 0.607 nan 8.190 nan 0.000 0.449 3078 N N -0.123 118.565 118.700 -0.020 0.000 2.512 3078 N HA -0.177 4.564 4.740 0.000 0.000 0.183 3078 N C 1.593 177.021 175.510 -0.136 0.000 1.073 3078 N CA 1.224 54.211 53.050 -0.105 0.000 0.911 3078 N CB -0.494 37.931 38.487 -0.103 0.000 0.964 3078 N HN 0.621 nan 8.380 nan 0.000 0.447 3079 N N 0.312 119.015 118.700 0.006 0.000 2.216 3079 N HA -0.087 4.653 4.740 0.000 0.000 0.183 3079 N C 1.763 177.309 175.510 0.061 0.000 1.017 3079 N CA 0.268 53.385 53.050 0.112 0.000 0.861 3079 N CB 0.084 38.634 38.487 0.106 0.000 0.986 3079 N HN 0.155 nan 8.380 nan 0.000 0.428 3080 L N 1.634 122.859 121.223 0.004 0.000 2.095 3080 L HA -0.004 4.336 4.340 0.000 0.000 0.204 3080 L C 2.123 178.954 176.870 -0.065 0.000 1.080 3080 L CA 1.489 56.311 54.840 -0.030 0.000 0.759 3080 L CB -0.508 41.558 42.059 0.011 0.000 0.914 3080 L HN -0.081 nan 8.230 nan 0.000 0.439 3081 K N -0.801 119.549 120.400 -0.083 0.000 2.173 3081 K HA -0.241 4.079 4.320 0.000 0.000 0.207 3081 K C 2.096 178.614 176.600 -0.136 0.000 1.046 3081 K CA 1.566 57.787 56.287 -0.111 0.000 0.929 3081 K CB -0.335 32.069 32.500 -0.161 0.000 0.720 3081 K HN 0.479 nan 8.250 nan 0.000 0.453 3082 H N -0.509 118.514 119.070 -0.077 0.000 2.280 3082 H HA -0.148 4.408 4.556 0.000 0.000 0.294 3082 H C 1.918 177.146 175.328 -0.167 0.000 1.064 3082 H CA 1.966 57.953 56.048 -0.101 0.000 1.208 3082 H CB -0.860 28.845 29.762 -0.096 0.000 1.365 3082 H HN 0.328 nan 8.280 nan 0.000 0.511 3083 A N 1.205 123.941 122.820 -0.140 0.000 1.892 3083 A HA -0.187 4.133 4.320 0.000 0.000 0.218 3083 A C 2.816 180.195 177.584 -0.343 0.000 1.188 3083 A CA 1.867 53.673 52.037 -0.385 0.000 0.631 3083 A CB -1.068 17.431 19.000 -0.835 0.000 0.822 3083 A HN 0.376 nan 8.150 nan 0.000 0.447 3084 I N 0.301 120.713 120.570 -0.264 0.000 2.065 3084 I HA -0.410 3.760 4.170 0.000 0.000 0.236 3084 I C 2.744 178.817 176.117 -0.073 0.000 1.028 3084 I CA 2.376 63.604 61.300 -0.120 0.000 1.299 3084 I CB -0.742 37.259 38.000 0.002 0.000 1.015 3084 I HN 0.678 nan 8.210 nan 0.000 0.396 3085 E N 1.236 121.429 120.200 -0.011 0.000 2.106 3085 E HA -0.265 4.086 4.350 0.000 0.000 0.192 3085 E C 1.872 178.487 176.600 0.025 0.000 0.984 3085 E CA 1.474 57.894 56.400 0.033 0.000 0.806 3085 E CB -0.844 28.867 29.700 0.018 0.000 0.750 3085 E HN 0.611 nan 8.360 nan 0.000 0.458 3086 N N 1.028 119.726 118.700 -0.004 0.000 2.100 3086 N HA -0.213 4.527 4.740 0.000 0.000 0.199 3086 N C 0.520 176.035 175.510 0.008 0.000 1.017 3086 N CA 2.232 55.277 53.050 -0.007 0.000 0.890 3086 N CB -0.041 38.410 38.487 -0.060 0.000 1.080 3086 N HN 0.157 nan 8.380 nan 0.000 0.525 3090 T N -0.524 114.118 114.554 0.145 0.000 3.309 3090 T HA -0.041 4.309 4.350 0.000 0.000 0.265 3090 T C 1.386 176.164 174.700 0.130 0.000 1.194 3090 T CA 0.623 62.788 62.100 0.107 0.000 1.037 3090 T CB -0.735 68.176 68.868 0.071 0.000 0.917 3090 T HN 0.178 nan 8.240 nan 0.000 0.558 3091 F N 1.058 120.963 119.950 -0.076 0.000 2.298 3091 F HA 0.287 4.814 4.527 0.000 0.000 0.282 3091 F C 1.583 177.331 175.800 -0.087 0.000 1.045 3091 F CA -0.899 57.009 58.000 -0.153 0.000 1.280 3091 F CB -0.616 38.190 39.000 -0.324 0.000 1.114 3091 F HN 0.142 nan 8.300 nan 0.000 0.546 3092 Y N 0.401 120.548 120.300 -0.256 0.000 2.538 3092 Y HA -0.184 4.366 4.550 0.000 0.000 0.287 3092 Y C 2.283 178.046 175.900 -0.229 0.000 1.157 3092 Y CA 1.225 59.122 58.100 -0.339 0.000 1.338 3092 Y CB -0.381 37.992 38.460 -0.145 0.000 0.970 3092 Y HN 0.032 nan 8.280 nan 0.000 0.564 3093 K N 0.082 120.486 120.400 0.006 0.000 2.329 3093 K HA -0.019 4.301 4.320 0.000 0.000 0.198 3093 K C 1.693 178.280 176.600 -0.022 0.000 1.085 3093 K CA 0.515 56.804 56.287 0.003 0.000 0.961 3093 K CB 0.290 32.814 32.500 0.041 0.000 0.971 3093 K HN 0.141 nan 8.250 nan 0.000 0.502 3094 E N 1.164 121.361 120.200 -0.005 0.000 2.150 3094 E HA -0.026 4.324 4.350 0.000 0.000 0.193 3094 E C 1.599 178.187 176.600 -0.021 0.000 0.985 3094 E CA 1.216 57.628 56.400 0.020 0.000 0.814 3094 E CB -0.079 29.683 29.700 0.103 0.000 0.752 3094 E HN 0.274 nan 8.360 nan 0.000 0.466 3095 A N 1.118 123.866 122.820 -0.119 0.000 1.849 3095 A HA -0.288 4.032 4.320 0.000 0.000 0.217 3095 A C 2.048 179.579 177.584 -0.089 0.000 1.202 3095 A CA 1.957 53.900 52.037 -0.157 0.000 0.629 3095 A CB -0.747 18.058 19.000 -0.325 0.000 0.834 3095 A HN 0.316 nan 8.150 nan 0.000 0.447 3096 E N -0.485 119.662 120.200 -0.088 0.000 2.035 3096 E HA -0.277 4.073 4.350 0.000 0.000 0.204 3096 E C 2.067 178.642 176.600 -0.040 0.000 1.025 3096 E CA 1.405 57.763 56.400 -0.070 0.000 0.835 3096 E CB -0.356 29.309 29.700 -0.057 0.000 0.764 3096 E HN 0.363 nan 8.360 nan 0.000 0.457 3097 K N 1.185 121.570 120.400 -0.025 0.000 2.044 3097 K HA -0.292 4.029 4.320 0.000 0.000 0.224 3097 K C 2.082 178.703 176.600 0.035 0.000 1.056 3097 K CA 2.159 58.442 56.287 -0.006 0.000 0.962 3097 K CB -0.557 31.933 32.500 -0.017 0.000 0.730 3097 K HN -0.030 nan 8.250 nan 0.000 0.453 3098 K N 0.751 121.172 120.400 0.036 0.000 2.001 3098 K HA -0.159 4.161 4.320 0.000 0.000 0.214 3098 K C 2.143 178.792 176.600 0.082 0.000 1.050 3098 K CA 1.447 57.787 56.287 0.088 0.000 0.934 3098 K CB -0.742 31.794 32.500 0.060 0.000 0.718 3098 K HN 0.107 nan 8.250 nan 0.000 0.443 3099 L N 1.627 122.852 121.223 0.002 0.000 1.933 3099 L HA -0.198 4.142 4.340 0.000 0.000 0.220 3099 L C 2.254 179.098 176.870 -0.044 0.000 1.078 3099 L CA 2.066 56.867 54.840 -0.064 0.000 0.773 3099 L CB -1.272 40.679 42.059 -0.181 0.000 0.890 3099 L HN 0.465 nan 8.230 nan 0.000 0.434 3100 I N -0.673 119.872 120.570 -0.043 0.000 2.182 3100 I HA -0.439 3.731 4.170 0.000 0.000 0.248 3100 I C 2.542 178.681 176.117 0.037 0.000 1.073 3100 I CA 1.894 63.183 61.300 -0.017 0.000 1.335 3100 I CB -0.862 37.136 38.000 -0.004 0.000 1.031 3100 I HN 0.502 nan 8.210 nan 0.000 0.420 3101 H N 1.080 120.132 119.070 -0.029 0.000 2.256 3101 H HA -0.130 4.426 4.556 0.000 0.000 0.299 3101 H C 2.210 177.536 175.328 -0.003 0.000 1.071 3101 H CA 2.195 58.235 56.048 -0.012 0.000 1.280 3101 H CB -0.527 29.231 29.762 -0.006 0.000 1.370 3101 H HN 0.018 nan 8.280 nan 0.000 0.490 3102 V N 1.084 120.916 119.914 -0.136 0.000 2.220 3102 V HA -0.320 3.800 4.120 0.000 0.000 0.250 3102 V C 2.909 178.932 176.094 -0.120 0.000 1.056 3102 V CA 2.164 64.366 62.300 -0.162 0.000 1.016 3102 V CB -0.975 30.837 31.823 -0.018 0.000 0.639 3102 V HN 0.504 nan 8.190 nan 0.000 0.446 3103 L N 0.184 121.373 121.223 -0.058 0.000 2.123 3103 L HA -0.283 4.057 4.340 0.000 0.000 0.217 3103 L C 2.506 179.353 176.870 -0.039 0.000 1.081 3103 L CA 2.631 57.449 54.840 -0.036 0.000 0.772 3103 L CB -0.340 41.685 42.059 -0.057 0.000 0.890 3103 L HN 0.723 nan 8.230 nan 0.000 0.437 3104 E N -1.242 118.923 120.200 -0.057 0.000 2.489 3104 E HA 0.243 4.593 4.350 0.000 0.000 0.204 3104 E C 0.789 177.353 176.600 -0.061 0.000 1.006 3104 E CA 0.411 56.786 56.400 -0.040 0.000 0.936 3104 E CB 0.430 30.123 29.700 -0.013 0.000 1.002 3104 E HN 0.309 nan 8.360 nan 0.000 0.488 3105 G N 1.549 110.271 108.800 -0.131 0.000 2.755 3105 G HA2 -0.250 3.711 3.960 0.000 0.000 0.686 3105 G HA3 -0.250 3.711 3.960 0.000 0.000 0.686 3105 G C -0.047 174.780 174.900 -0.122 0.000 1.427 3105 G CA -0.193 44.824 45.100 -0.138 0.000 0.873 3105 G HN 0.132 nan 8.290 nan 0.000 0.580 3106 D N -0.011 120.333 120.400 -0.093 0.000 2.154 3106 D HA -0.144 4.496 4.640 0.000 0.000 0.190 3106 D C 1.925 178.263 176.300 0.063 0.000 1.003 3106 D CA 2.463 56.476 54.000 0.023 0.000 0.849 3106 D CB -0.155 40.662 40.800 0.027 0.000 0.942 3106 D HN 1.261 nan 8.370 nan 0.000 0.446 3107 S N 0.430 116.148 115.700 0.030 0.000 2.293 3107 S HA 0.395 4.865 4.470 0.000 0.000 0.154 3107 S C -2.191 172.421 174.600 0.019 0.000 1.602 3107 S CA -1.146 57.073 58.200 0.032 0.000 1.260 3107 S CB 2.024 65.241 63.200 0.028 0.000 1.270 3107 S HN -0.051 nan 8.310 nan 0.000 0.416 3108 P HA 0.405 nan 4.420 nan 0.000 0.282 3108 P C -0.736 176.571 177.300 0.012 0.000 1.287 3108 P CA -0.709 62.398 63.100 0.011 0.000 0.792 3108 P CB 0.737 32.442 31.700 0.009 0.000 1.163 3109 K N 0.171 120.577 120.400 0.009 0.000 2.086 3109 K HA 0.046 4.366 4.320 0.000 0.000 0.215 3109 K C 0.984 177.589 176.600 0.009 0.000 1.207 3109 K CA 0.049 56.341 56.287 0.008 0.000 1.206 3109 K CB -1.372 31.131 32.500 0.006 0.000 1.253 3109 K HN 0.542 nan 8.250 nan 0.000 0.234 3110 W N 0.000 121.307 121.300 0.012 0.000 2.388 3110 W HA 0.000 4.660 4.660 0.000 0.000 0.303 3110 W CA 0.000 57.352 57.345 0.012 0.000 1.226 3110 W CB 0.000 29.468 29.460 0.013 0.000 1.126 3110 W HN 0.000 nan 8.180 nan 0.000 0.535